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Thermo Scientific Acros Toluene-d8, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

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Isotopically Labeled Compounds

Thermo Scientific Acros N,N-Dimethylformamide-d7, for NMR, 99.5% atom D, Thermo Scientific Chemicals

CAS: 4472-41-7 Molecular Formula: C3H7NO MDL Number: MFCD00003286 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: dimethylformamide d,formamide-1-d, n,n-di methyl-d3,deuterated dmf,n,n-dimethylformamide-d7,n,n-dimethylformamide-d7 99.5atom%d,n,n-dimethylformamide-d7 dmf-d7,dimethyl formamide-d7,heptadeutero-n,n-dimethylformamide,dmf-d7,n,n-di 2h3 methyl 2h formamide PubChem CID: 78225

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Isotopically Labeled Compounds

PubChem CID	78225
CAS	4472-41-7
MDL Number	MFCD00003286
Synonym	dimethylformamide d,formamide-1-d, n,n-di methyl-d3,deuterated dmf,n,n-dimethylformamide-d7,n,n-dimethylformamide-d7 99.5atom%d,n,n-dimethylformamide-d7 dmf-d7,dimethyl formamide-d7,heptadeutero-n,n-dimethylformamide,dmf-d7,n,n-di 2h3 methyl 2h formamide
InChI Key	ZMXDDKWLCZADIW-YYWVXINBSA-N
Molecular Formula	C3H7NO

Thermo Scientific Alfa Aesar n-Pentane, anhydrous, 99.8+%, over molecular sieves, packaged under Argon in resealable ChemSeal™ bottles, Thermo Scientific Chemicals

CAS: 109-66-0 Molecular Formula: C5H12 Molecular Weight (g/mol): 72.15 MDL Number: MFCD00009498 InChI Key: OFBQJSOFQDEBGM-UHFFFAOYSA-N Synonym: n-pentane,pentan,skellysolve a,pentanen,pentani,amyl hydride,tetrafume,tetrakil,tetraspot,pentan polish PubChem CID: 8003 ChEBI: CHEBI:37830 IUPAC Name: pentane SMILES: CCCCC

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Specifications

Pentane

PubChem CID	8003
CAS	109-66-0
Molecular Weight (g/mol)	72.15
ChEBI	CHEBI:37830
MDL Number	MFCD00009498
SMILES	CCCCC
Synonym	n-pentane,pentan,skellysolve a,pentanen,pentani,amyl hydride,tetrafume,tetrakil,tetraspot,pentan polish
IUPAC Name	pentane
InChI Key	OFBQJSOFQDEBGM-UHFFFAOYSA-N
Molecular Formula	C5H12

Thermo Scientific Acros 1-(4-Chlorophenyl)-1-cyclohexanecarboxylic acid, 95%, Thermo Scientific Chemicals

CAS: 58880-37-8 Molecular Formula: C13H14ClO2 Molecular Weight (g/mol): 237.70 MDL Number: MFCD00019350 InChI Key: UPNXUJXIIZGXLQ-UHFFFAOYSA-M Synonym: 1-4-chlorophenyl cyclohexanecarboxylic acid,1-4-chlorophenyl cyclohexane-1-carboxylic acid,1-4-chlorophenyl-1-cyclohexanecarboxylic acid,1-4-chlorophenyl-1-cyclohexane-carboxylic acid,cyclohexanecarboxylic acid, 1-4-chlorophenyl,acmc-1cuiq,4-chlorophenylcyclohexanecarboxylic acid,4-chlorophenyl cyclohexanecarboxylic acid,1-4-chlorophenyl cyclohexanecarboxylicacid PubChem CID: 100873 SMILES: [O-]C(=O)C1(CCCCC1)C1=CC=C(Cl)C=C1

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Specifications

Chlorobenzene

PubChem CID	100873
CAS	58880-37-8
Molecular Weight (g/mol)	237.70
MDL Number	MFCD00019350
SMILES	[O-]C(=O)C1(CCCCC1)C1=CC=C(Cl)C=C1
Synonym	1-4-chlorophenyl cyclohexanecarboxylic acid,1-4-chlorophenyl cyclohexane-1-carboxylic acid,1-4-chlorophenyl-1-cyclohexanecarboxylic acid,1-4-chlorophenyl-1-cyclohexane-carboxylic acid,cyclohexanecarboxylic acid, 1-4-chlorophenyl,acmc-1cuiq,4-chlorophenylcyclohexanecarboxylic acid,4-chlorophenyl cyclohexanecarboxylic acid,1-4-chlorophenyl cyclohexanecarboxylicacid
InChI Key	UPNXUJXIIZGXLQ-UHFFFAOYSA-M
Molecular Formula	C13H14ClO2

Thermo Scientific Alfa Aesar 2-Amino-3-chlorobenzonitrile, 97%, Thermo Scientific Chemicals

CAS: 53312-77-9 Molecular Formula: C7H5ClN2 Molecular Weight (g/mol): 152.581 MDL Number: MFCD03425881 InChI Key: FAHVRFGAGJMXHW-UHFFFAOYSA-N Synonym: benzonitrile, 2-amino-3-chloro,pubchem4612,acmc-20a0rc,amino-3-chlorobenzonitrile,ksc494a6d,2-amino-3-chloro-benzonitrile,3-chloroanthranilonitrile,2-amino-3-chlorobenzenecarbonitrile PubChem CID: 12627363 IUPAC Name: 2-amino-3-chlorobenzonitrile SMILES: C1=CC(=C(C(=C1)Cl)N)C#N

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Specifications

Chlorobenzene

PubChem CID	12627363
CAS	53312-77-9
Molecular Weight (g/mol)	152.581
MDL Number	MFCD03425881
SMILES	C1=CC(=C(C(=C1)Cl)N)C#N
Synonym	benzonitrile, 2-amino-3-chloro,pubchem4612,acmc-20a0rc,amino-3-chlorobenzonitrile,ksc494a6d,2-amino-3-chloro-benzonitrile,3-chloroanthranilonitrile,2-amino-3-chlorobenzenecarbonitrile
IUPAC Name	2-amino-3-chlorobenzonitrile
InChI Key	FAHVRFGAGJMXHW-UHFFFAOYSA-N
Molecular Formula	C7H5ClN2

Thermo Scientific Acros 2-Chlorophenyl isothiocyanate, 99%, Thermo Scientific Chemicals

CAS: 2740-81-0 Molecular Formula: C₇H₄ClNS Molecular Weight (g/mol): 169.63 MDL Number: MFCD00004801 InChI Key: DASSPOJBUMBXLU-UHFFFAOYSA-N Synonym: 2-chlorophenyl isothiocyanate,2-chlorophenylisothiocyanate,benzene, 1-chloro-2-isothiocyanato,benzene, chloroisothiocyanato,1-chloro-2-isothiocyanato-benzene,isothiocyanic acid 2-chlorophenyl ester,2-chlorobenzenisothiocyanate,acmc-1ccw5,o-chlorophenylisothiocyanate,o-chlorophenyl isothiocyanate PubChem CID: 123171 IUPAC Name: 1-chloro-2-isothiocyanatobenzene SMILES: C1=CC=C(C(=C1)N=C=S)Cl

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Specifications

Chlorobenzene

PubChem CID	123171
CAS	2740-81-0
Molecular Weight (g/mol)	169.63
MDL Number	MFCD00004801
SMILES	C1=CC=C(C(=C1)N=C=S)Cl
Synonym	2-chlorophenyl isothiocyanate,2-chlorophenylisothiocyanate,benzene, 1-chloro-2-isothiocyanato,benzene, chloroisothiocyanato,1-chloro-2-isothiocyanato-benzene,isothiocyanic acid 2-chlorophenyl ester,2-chlorobenzenisothiocyanate,acmc-1ccw5,o-chlorophenylisothiocyanate,o-chlorophenyl isothiocyanate
IUPAC Name	1-chloro-2-isothiocyanatobenzene
InChI Key	DASSPOJBUMBXLU-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNS

Thermo Scientific Alfa Aesar 4-(4-Chlorophenyl)-3-thiosemicarbazide, 97%, Thermo Scientific Chemicals

CAS: 22814-92-2 Molecular Formula: C7H8ClN3S Molecular Weight (g/mol): 201.672 MDL Number: MFCD00041295 InChI Key: GFTWJLUVFRTLIL-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl-3-thiosemicarbazide,n-4-chlorophenyl hydrazinecarbothioamide,3-amino-1-4-chlorophenyl thiourea,1-amino-3-4-chlorophenyl thiourea,4-chlorophenyl amino hydrazinomethane-1-thione,acmc-20amw7,maybridge1_006895,4-p-chlorphenylthiosemicarbazid,4-4-chlorophenyl thiosemicarbazide,1-azanyl-3-4-chlorophenyl thiourea PubChem CID: 706988 IUPAC Name: 1-amino-3-(4-chlorophenyl)thiourea SMILES: C1=CC(=CC=C1NC(=S)NN)Cl

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Specifications

Chlorobenzene

PubChem CID	706988
CAS	22814-92-2
Molecular Weight (g/mol)	201.672
MDL Number	MFCD00041295
SMILES	C1=CC(=CC=C1NC(=S)NN)Cl
Synonym	4-4-chlorophenyl-3-thiosemicarbazide,n-4-chlorophenyl hydrazinecarbothioamide,3-amino-1-4-chlorophenyl thiourea,1-amino-3-4-chlorophenyl thiourea,4-chlorophenyl amino hydrazinomethane-1-thione,acmc-20amw7,maybridge1_006895,4-p-chlorphenylthiosemicarbazid,4-4-chlorophenyl thiosemicarbazide,1-azanyl-3-4-chlorophenyl thiourea
IUPAC Name	1-amino-3-(4-chlorophenyl)thiourea
InChI Key	GFTWJLUVFRTLIL-UHFFFAOYSA-N
Molecular Formula	C7H8ClN3S

Thermo Scientific Alfa Aesar 2,3-Dimethylbenzoyl chloride, 96%, Thermo Scientific Chemicals

CAS: 21900-46-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045217 InChI Key: WFNKMVDATNLZBX-UHFFFAOYSA-N Synonym: 2,3-dimethylbenzene-1-carbonyl chloride,benzoyl chloride, dimethyl,xylic acid chloride,acmc-20aog3,2,3 dimethylbenzoyl chloride,2,3-dimethyl-benzoyl chloride,2,3-dimethylbenzene-1-carbonylchloride,2,3-dimethyl-1-benzenecarbonyl chloride,benzoyl chloride, 2,3-dimethyl-6ci,7ci,8ci,9ci PubChem CID: 2800899 IUPAC Name: 2,3-dimethylbenzoyl chloride SMILES: CC1=CC=CC(=C1C)C(=O)Cl

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Specifications

Xylenes

PubChem CID	2800899
CAS	21900-46-9
Molecular Weight (g/mol)	168.62
MDL Number	MFCD00045217
SMILES	CC1=CC=CC(=C1C)C(=O)Cl
Synonym	2,3-dimethylbenzene-1-carbonyl chloride,benzoyl chloride, dimethyl,xylic acid chloride,acmc-20aog3,2,3 dimethylbenzoyl chloride,2,3-dimethyl-benzoyl chloride,2,3-dimethylbenzene-1-carbonylchloride,2,3-dimethyl-1-benzenecarbonyl chloride,benzoyl chloride, 2,3-dimethyl-6ci,7ci,8ci,9ci
IUPAC Name	2,3-dimethylbenzoyl chloride
InChI Key	WFNKMVDATNLZBX-UHFFFAOYSA-N
Molecular Formula	C9H9ClO

Thermo Scientific Alfa Aesar 3,5-Dimethylphenyl isothiocyanate, 99%, Thermo Scientific Chemicals

CAS: 40046-30-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.238 MDL Number: MFCD00041082 InChI Key: DSMXCADWIFIJEX-UHFFFAOYSA-N Synonym: 3,5-dimethylphenyl isothiocyanate,3,5-dimethylphenylisothiocyanate,3,5-dimethylbenzenisothiocyanate,acmc-20anca,3,5-xylyl isothiocyanate,1-isothiocyanato-3,5-dimethyl-benzene,#,isothiocyanic acid 3,5-dimethylphenyl ester PubChem CID: 142406 IUPAC Name: 1-isothiocyanato-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)N=C=S)C

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Specifications

Xylenes

PubChem CID	142406
CAS	40046-30-8
Molecular Weight (g/mol)	163.238
MDL Number	MFCD00041082
SMILES	CC1=CC(=CC(=C1)N=C=S)C
Synonym	3,5-dimethylphenyl isothiocyanate,3,5-dimethylphenylisothiocyanate,3,5-dimethylbenzenisothiocyanate,acmc-20anca,3,5-xylyl isothiocyanate,1-isothiocyanato-3,5-dimethyl-benzene,#,isothiocyanic acid 3,5-dimethylphenyl ester
IUPAC Name	1-isothiocyanato-3,5-dimethylbenzene
InChI Key	DSMXCADWIFIJEX-UHFFFAOYSA-N
Molecular Formula	C9H9NS

Thermo Scientific Alfa Aesar Chlorobis(4-chlorophenyl)phosphine, 97%, Thermo Scientific Chemicals

CAS: 13685-26-2 Molecular Formula: C12H8Cl3P Molecular Weight (g/mol): 289.52 MDL Number: MFCD09909564 InChI Key: UISLTICQIVPVGS-UHFFFAOYSA-N Synonym: chlorobis 4-chlorophenyl phosphine,chlorobis 4-chlorophenyl phosphane,bis 4-chlorophenyl chlorophosphine,chloro-bis 4-chlorophenyl phosphane,bis 4-chlorophenyl phosphinous chloride,chlorobis 4-chlorophenyl phosphine,98+% PubChem CID: 18705966 IUPAC Name: chloro-bis(4-chlorophenyl)phosphane SMILES: C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)Cl)Cl

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Specifications

Chlorobenzene

PubChem CID	18705966
CAS	13685-26-2
Molecular Weight (g/mol)	289.52
MDL Number	MFCD09909564
SMILES	C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)Cl)Cl
Synonym	chlorobis 4-chlorophenyl phosphine,chlorobis 4-chlorophenyl phosphane,bis 4-chlorophenyl chlorophosphine,chloro-bis 4-chlorophenyl phosphane,bis 4-chlorophenyl phosphinous chloride,chlorobis 4-chlorophenyl phosphine,98+%
IUPAC Name	chloro-bis(4-chlorophenyl)phosphane
InChI Key	UISLTICQIVPVGS-UHFFFAOYSA-N
Molecular Formula	C12H8Cl3P

Thermo Scientific Alfa Aesar (R)-1-(3-Chlorophenyl)ethylamine, ChiPros™, 99%, ee 98+%, Thermo Scientific Chemicals

CAS: 17061-53-9 Molecular Formula: C8H10ClN Molecular Weight (g/mol): 155.625 MDL Number: MFCD06761822 InChI Key: DQEYVZASLGNODG-ZCFIWIBFSA-N Synonym: r-1-3-chlorophenyl ethanamine,1r-1-3-chlorophenyl ethanamine,r-1-3-chlorophenyl ethylamine,r-3-chloro-,a-methylbenzylamine,1r-1-3-chlorophenyl ethan-1-amine,r-3-chloro-methylbenzylamine,r-+-1-3-chlorophenyl ethylamine,r-1-3-chlorophenyl ethylamine, chipros,r-alpha-methyl-3-chlorobenzenemethaneamine,benzenemethanamine,3-chloro-a-methyl-, ar PubChem CID: 2507697 IUPAC Name: (1R)-1-(3-chlorophenyl)ethanamine SMILES: CC(C1=CC(=CC=C1)Cl)N

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Specifications

Chlorobenzene

PubChem CID	2507697
CAS	17061-53-9
Molecular Weight (g/mol)	155.625
MDL Number	MFCD06761822
SMILES	CC(C1=CC(=CC=C1)Cl)N
Synonym	r-1-3-chlorophenyl ethanamine,1r-1-3-chlorophenyl ethanamine,r-1-3-chlorophenyl ethylamine,r-3-chloro-,a-methylbenzylamine,1r-1-3-chlorophenyl ethan-1-amine,r-3-chloro-methylbenzylamine,r-+-1-3-chlorophenyl ethylamine,r-1-3-chlorophenyl ethylamine, chipros,r-alpha-methyl-3-chlorobenzenemethaneamine,benzenemethanamine,3-chloro-a-methyl-, ar
IUPAC Name	(1R)-1-(3-chlorophenyl)ethanamine
InChI Key	DQEYVZASLGNODG-ZCFIWIBFSA-N
Molecular Formula	C8H10ClN

Thermo Scientific Acros 3,4-Dimethylaniline, 99.5%, Thermo Scientific Chemicals

CAS: 95-64-7 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00007810 InChI Key: DOLQYFPDPKPQSS-UHFFFAOYSA-N Synonym: 3,4-xylidine,4-amino-o-xylene,3,4-xylylamine,3,4-dimethylphenylamine,benzenamine, 3,4-dimethyl,3,4-dimethylbenzenamine,3,4-dimethylaminobenzene,1-amino-3,4-dimethylbenzene,4-amino-1,2-dimethylbenzene,aniline, 3,4-dimethyl PubChem CID: 7248 ChEBI: CHEBI:39901 IUPAC Name: 3,4-dimethylaniline SMILES: CC1=CC=C(N)C=C1C

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Specifications

Xylenes

PubChem CID	7248
CAS	95-64-7
Molecular Weight (g/mol)	121.18
ChEBI	CHEBI:39901
MDL Number	MFCD00007810
SMILES	CC1=CC=C(N)C=C1C
Synonym	3,4-xylidine,4-amino-o-xylene,3,4-xylylamine,3,4-dimethylphenylamine,benzenamine, 3,4-dimethyl,3,4-dimethylbenzenamine,3,4-dimethylaminobenzene,1-amino-3,4-dimethylbenzene,4-amino-1,2-dimethylbenzene,aniline, 3,4-dimethyl
IUPAC Name	3,4-dimethylaniline
InChI Key	DOLQYFPDPKPQSS-UHFFFAOYSA-N
Molecular Formula	C8H11N

Thermo Scientific Acros Hexanes, for analysis, mixture of isomers, Thermo Scientific Chemicals

CAS: 92112-69-1 | C₆H₁₄

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Specifications

Hexane

Water	0.01% max.
Viscosity	0.31 mPa.s (20°C)
Boiling Point	69.0°C
Linear Formula	CH₃(CH₂)₄CH₃
Physical Form	Liquid
Chemical Name or Material	Hexanes
Grade	Analytical
Acidity	0.0002 meq/g max.
Residue after Evaporation	0.0005% max.
Density	0.6590g/mL
CAS	110-54-3
Health Hazard 3	GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Wear protective gloves/protective clothing/eye protection/face protection. IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. IF exposed or concerned: Get medical advice/attention.
Health Hazard 2	GHS H Statement Highly flammable liquid and vapor. May be fatal if swallowed and enters airways. Causes skin irritation. May cause drowsiness or dizziness. Suspected of damaging fertility. May cause damage to organs through prolonged or repeated exposure. Toxic to aquatic life with long lasting effects.
Solubility Information	Solubility in water: insoluble. Other solubilities: soluble in alcohol, acetone, ether and chloroform
Flash Point	−22°C
Health Hazard 1	Danger
Refractive Index	1.3748 to 1.3810
Synonym	Hex
Molecular Formula	C₆H₁₄
Formula Weight	86.18
Specific Gravity	0.659
Melting Point	-95.0°C

Thermo Scientific Acros 2,5-Dimethylaniline, 99%, Thermo Scientific Chemicals

CAS: 95-78-3 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00007743 InChI Key: VOWZNBNDMFLQGM-UHFFFAOYSA-N Synonym: 2,5-xylidine,p-xylidine,2,5-dimethylphenylamine,2-amino-1,4-xylene,2,5-dimethylbenzenamine,benzenamine, 2,5-dimethyl,5-methyl-o-toluidine,6-methyl-m-toluidine,1-amino-2,5-dimethylbenzene,p-dimethylaniline PubChem CID: 7259 ChEBI: CHEBI:518305 IUPAC Name: 2,5-dimethylaniline SMILES: CC1=CC=C(C)C(N)=C1

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Specifications

Xylenes

PubChem CID	7259
CAS	95-78-3
Molecular Weight (g/mol)	121.18
ChEBI	CHEBI:518305
MDL Number	MFCD00007743
SMILES	CC1=CC=C(C)C(N)=C1
Synonym	2,5-xylidine,p-xylidine,2,5-dimethylphenylamine,2-amino-1,4-xylene,2,5-dimethylbenzenamine,benzenamine, 2,5-dimethyl,5-methyl-o-toluidine,6-methyl-m-toluidine,1-amino-2,5-dimethylbenzene,p-dimethylaniline
IUPAC Name	2,5-dimethylaniline
InChI Key	VOWZNBNDMFLQGM-UHFFFAOYSA-N
Molecular Formula	C8H11N

Thermo Scientific Dichloromethane-d2, for NMR, packaged in 0.75 ml ampoules, 100.0 atom % D

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Isotopically Labeled Compounds

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