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Anilin og substituerede aniliner

Organiske forbindelser, der består af en phenylgruppe knyttet til en aminogruppe; anilin er den enkleste aromatiske amin. Aniliner med yderligere substitutioner er inkluderet.

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1

4-Amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1326283-60-6 Molekylær formel: C13H19BFNO3 Molekylvægt (g/mol): 267.11 MDL nummer: MFCD22419265 InChI nøgle: JWACNMHKJHEWAQ-UHFFFAOYSA-N Synonym: 4-amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester,5-fluoro-2-methoxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline PubChem CID: 67363295 IUPAC navn: 5-fluor-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilin SMIL: COC1=C(N)C=C(F)C(=C1)B1OC(C)(C)C(C)(C)O1

MDL nummer MFCD22419265
PubChem CID 67363295
Molekylvægt (g/mol) 267.11
CAS 1326283-60-6
Synonym 4-amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester,5-fluoro-2-methoxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline
SMIL COC1=C(N)C=C(F)C(=C1)B1OC(C)(C)C(C)(C)O1
IUPAC navn 5-fluor-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilin
InChI nøgle JWACNMHKJHEWAQ-UHFFFAOYSA-N
Molekylær formel C13H19BFNO3
2

1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-carboxylsyre, 97 %, Thermo Scientific™

CAS: 187998-64-7 Molekylær formel: C12H12N2O3 Molekylvægt (g/mol): 232.239 MDL nummer: MFCD02677745 InChI nøgle: JPFGKGZYCXLEGQ-UHFFFAOYSA-N PubChem CID: 2776133 IUPAC navn: 1-(4-methoxyphenyl)-5-methylpyrazol-4-carboxylsyre SMIL: CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O

MDL nummer MFCD02677745
PubChem CID 2776133
Molekylvægt (g/mol) 232.239
CAS 187998-64-7
SMIL CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O
IUPAC navn 1-(4-methoxyphenyl)-5-methylpyrazol-4-carboxylsyre
InChI nøgle JPFGKGZYCXLEGQ-UHFFFAOYSA-N
Molekylær formel C12H12N2O3
3

2-[3-(Aminosulfonyl)-4-chlorobenzoyl]-benzonic Acid, TRC

CAS: 5270-74-6 Molekylær formel: C14 H10 Cl N O5 S Molekylvægt (g/mol): 339.75 Synonym: 2-[3-(Aminosulfonyl)-4-chlorobenzoyl]benzoic acid,o-(4-Chloro-3-sulfamoylbenzoyl)benzoic acid IUPAC navn: 2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid SMIL: NS(=O)(=O)c1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O

Molekylvægt (g/mol) 339.75
CAS 5270-74-6
Synonym 2-[3-(Aminosulfonyl)-4-chlorobenzoyl]benzoic acid,o-(4-Chloro-3-sulfamoylbenzoyl)benzoic acid
SMIL NS(=O)(=O)c1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O
IUPAC navn 2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid
Molekylær formel C14 H10 Cl N O5 S
4

2-[3-(Aminosulfonyl)-4-chlorobenzoyl]-benzonic Acid, TRC

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5

Methyl-4-amino-2-methoxybenzoat, 98 %, Thermo Scientific Chemicals

CAS: 27492-84-8 Molekylær formel: C9H11NO3 Molekylvægt (g/mol): 181.19 MDL nummer: MFCD00017202 InChI nøgle: YUPQMVSYNJQULF-UHFFFAOYSA-N Synonym: methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712 PubChem CID: 168705 IUPAC navn: methyl-4-amino-2-methoxybenzoat SMIL: COC(=O)C1=CC=C(N)C=C1OC

MDL nummer MFCD00017202
PubChem CID 168705
Molekylvægt (g/mol) 181.19
CAS 27492-84-8
Synonym methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712
SMIL COC(=O)C1=CC=C(N)C=C1OC
IUPAC navn methyl-4-amino-2-methoxybenzoat
InChI nøgle YUPQMVSYNJQULF-UHFFFAOYSA-N
Molekylær formel C9H11NO3
6

Methyl-4-amino-3-brombenzoat, 97 %, Thermo Scientific Chemicals

CAS: 106896-49-5 Molekylær formel: C8H8BrNO2 Molekylvægt (g/mol): 230.06 MDL nummer: MFCD01861385 InChI nøgle: AIUWAOALZYWQBX-UHFFFAOYSA-N Synonym: 4-amino-3-bromo-benzoic acid methyl ester,methyl4-amino-3-bromobenzoate,2-bromo-4-methoxycarbonylaniline,benzoic acid, 4-amino-3-bromo-, methyl ester,4-amino-3-bromobenzoic acid methyl ester,acmc-2098mp,methyl-4-amino-3-bromobenzoate,methyl 4-amino-3-bromo-benzoate,timtec-bb sbb012847,2-bromo-4-methoxycarbonyl aniline PubChem CID: 1515280 IUPAC navn: methyl-4-amino-3-brombenzoat SMIL: COC(=O)C1=CC=C(N)C(Br)=C1

MDL nummer MFCD01861385
PubChem CID 1515280
Molekylvægt (g/mol) 230.06
CAS 106896-49-5
Synonym 4-amino-3-bromo-benzoic acid methyl ester,methyl4-amino-3-bromobenzoate,2-bromo-4-methoxycarbonylaniline,benzoic acid, 4-amino-3-bromo-, methyl ester,4-amino-3-bromobenzoic acid methyl ester,acmc-2098mp,methyl-4-amino-3-bromobenzoate,methyl 4-amino-3-bromo-benzoate,timtec-bb sbb012847,2-bromo-4-methoxycarbonyl aniline
SMIL COC(=O)C1=CC=C(N)C(Br)=C1
IUPAC navn methyl-4-amino-3-brombenzoat
InChI nøgle AIUWAOALZYWQBX-UHFFFAOYSA-N
Molekylær formel C8H8BrNO2
8

m-Anisidine, 99%

CAS: 536-90-3 Molekylær formel: C7H9NO Molekylvægt (g/mol): 123.15 MDL nummer: MFCD00007783 InChI nøgle: NCBZRJODKRCREW-UHFFFAOYSA-N Synonym: m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i PubChem CID: 10824 IUPAC navn: 3-methoxyanilin SMIL: COC1=CC=CC(=C1)N

MDL nummer MFCD00007783
PubChem CID 10824
Molekylvægt (g/mol) 123.15
CAS 536-90-3
Synonym m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i
SMIL COC1=CC=CC(=C1)N
IUPAC navn 3-methoxyanilin
InChI nøgle NCBZRJODKRCREW-UHFFFAOYSA-N
Molekylær formel C7H9NO
9

o-Dianisidine dihydrochloride, 98%

CAS: 20325-40-0 Molekylær formel: C14H18Cl2N2O2 Molekylvægt (g/mol): 317.21 MDL nummer: MFCD00012488 InChI nøgle: UXTIAFYTYOEQHV-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine dihydrochloride,o-dianisidine dihydrochloride,3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-qv96qa6ukk,dianisidine dihydrochloride,ccris 998,o-dianisidine hcl,qv96qa6ukk,c.i. disperse black 6 dihydrochloride PubChem CID: 62311 IUPAC navn: 4-(4-amino-3-methoxyphenyl)-2-methoxyanilin; dihydrochlorid SMIL: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl

MDL nummer MFCD00012488
PubChem CID 62311
Molekylvægt (g/mol) 317.21
CAS 20325-40-0
Synonym 3,3'-dimethoxybenzidine dihydrochloride,o-dianisidine dihydrochloride,3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-qv96qa6ukk,dianisidine dihydrochloride,ccris 998,o-dianisidine hcl,qv96qa6ukk,c.i. disperse black 6 dihydrochloride
SMIL COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl
IUPAC navn 4-(4-amino-3-methoxyphenyl)-2-methoxyanilin; dihydrochlorid
InChI nøgle UXTIAFYTYOEQHV-UHFFFAOYSA-N
Molekylær formel C14H18Cl2N2O2
10

o-Anisidine, 99%

CAS: 90-04-0 Molekylær formel: C7H9NO Molekylvægt (g/mol): 123.155 MDL nummer: MFCD00007688 InChI nøgle: VMPITZXILSNTON-UHFFFAOYSA-N Synonym: o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine PubChem CID: 7000 ChEBI: CHEBI:82288 IUPAC navn: 2-methoxyanilin SMIL: COC1=CC=CC=C1N

MDL nummer MFCD00007688
PubChem CID 7000
Molekylvægt (g/mol) 123.155
CAS 90-04-0
ChEBI CHEBI:82288
Synonym o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine
SMIL COC1=CC=CC=C1N
IUPAC navn 2-methoxyanilin
InChI nøgle VMPITZXILSNTON-UHFFFAOYSA-N
Molekylær formel C7H9NO
11

2-Methoxyphenyl isothiocyanate, 98%

CAS: 3288-04-8 MDL nummer: MFCD00011675

MDL nummer MFCD00011675
CAS 3288-04-8
12

4-Methoxyphenyl isothiocyanate, 98%

CAS: 2284-20-0 Molekylær formel: C8H7NOS Molekylvægt (g/mol): 165.21 MDL nummer: MFCD00011676 InChI nøgle: VRPQCVLBOZOYCG-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isothiocyanate,4-methoxyphenylisothiocyanate,1-isothiocyanato-4-methoxy-benzene,p-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-4-methoxy,isothiocyanic acid 4-methoxyphenyl ester,4-methoxybenzenisothiocyanate,4-isothiocyanatoanisole,acmc-1ccqx,p-methoxyphenylisothiocyanate PubChem CID: 75293 IUPAC navn: 1-isothiocyanato-4-methoxybenzen SMIL: COC1=CC=C(C=C1)N=C=S

MDL nummer MFCD00011676
PubChem CID 75293
Molekylvægt (g/mol) 165.21
CAS 2284-20-0
Synonym 4-methoxyphenyl isothiocyanate,4-methoxyphenylisothiocyanate,1-isothiocyanato-4-methoxy-benzene,p-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-4-methoxy,isothiocyanic acid 4-methoxyphenyl ester,4-methoxybenzenisothiocyanate,4-isothiocyanatoanisole,acmc-1ccqx,p-methoxyphenylisothiocyanate
SMIL COC1=CC=C(C=C1)N=C=S
IUPAC navn 1-isothiocyanato-4-methoxybenzen
InChI nøgle VRPQCVLBOZOYCG-UHFFFAOYSA-N
Molekylær formel C8H7NOS
13

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molekylær formel: C8H7NO2 Molekylvægt (g/mol): 149.149 MDL nummer: MFCD00002019 InChI nøgle: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC navn: 1-isocyanato-3-methoxybenzen SMIL: COC1=CC=CC(=C1)N=C=O

MDL nummer MFCD00002019
PubChem CID 87843
Molekylvægt (g/mol) 149.149
CAS 18908-07-1
Synonym 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
SMIL COC1=CC=CC(=C1)N=C=O
IUPAC navn 1-isocyanato-3-methoxybenzen
InChI nøgle NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molekylær formel C8H7NO2
14

4-methoxyphenylisocyanat, 98 %, Thermo Scientific Chemicals

CAS: 5416-93-3 Molekylær formel: C8H7NO2 Molekylvægt (g/mol): 149.149 MDL nummer: MFCD00002026 InChI nøgle: FMDGXCSMDZMDHZ-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene PubChem CID: 79443 IUPAC navn: 1-isocyanato-4-methoxybenzen SMIL: COC1=CC=C(C=C1)N=C=O

MDL nummer MFCD00002026
PubChem CID 79443
Molekylvægt (g/mol) 149.149
CAS 5416-93-3
Synonym 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene
SMIL COC1=CC=C(C=C1)N=C=O
IUPAC navn 1-isocyanato-4-methoxybenzen
InChI nøgle FMDGXCSMDZMDHZ-UHFFFAOYSA-N
Molekylær formel C8H7NO2
15

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molekylær formel: C8H7NO2 Molekylvægt (g/mol): 149.15 MDL nummer: MFCD00002019 InChI nøgle: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC navn: 1-isocyanato-3-methoxybenzen SMIL: COC1=CC=CC(=C1)N=C=O

MDL nummer MFCD00002019
PubChem CID 87843
Molekylvægt (g/mol) 149.15
CAS 18908-07-1
Synonym 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
SMIL COC1=CC=CC(=C1)N=C=O
IUPAC navn 1-isocyanato-3-methoxybenzen
InChI nøgle NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molekylær formel C8H7NO2