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Organiske zwitterioner

Organiske zwitterioner (fra tysk Zwitter betyder hermafrodit) er organiske molekyler, der indeholder det samme antal positivt ladede funktionelle grupper og negativt ladede funktionelle grupper; også kaldet indre salte.

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1

Zirconium(IV) n-propoxid, 70% w/w i n-propanol, pakket under argon i genlukkelig ChemSeal™ flasker, Thermo Scientific Chemicals

CAS: 23519-77-9 Molekylær formel: C12H28O4Zr Molekylvægt (g/mol): 327.58 MDL nummer: MFCD00015307 InChI nøgle: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 IUPAC navn: propan-1-olat;zirconium(4+) SMIL: CCCO[Zr](OCCC)(OCCC)OCCC

MDL nummer MFCD00015307
PubChem CID 90139
Molekylvægt (g/mol) 327.58
CAS 23519-77-9
Synonym zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt
SMIL CCCO[Zr](OCCC)(OCCC)OCCC
IUPAC navn propan-1-olat;zirconium(4+)
InChI nøgle XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molekylær formel C12H28O4Zr
2

4-Nitro-m-phenylendiamin, 95%

CAS: 5131-58-8 Molekylær formel: C6H7N3O2 Molekylvægt (g/mol): 153.14 MDL nummer: MFCD00025289 InChI nøgle: DPIZKMGPXNXSGL-UHFFFAOYSA-N Synonym: 4-nitro-m-phenylenediamine,4-nitro-1,3-phenylenediamine,2,4-diaminonitrobenzene,1,3-benzenediamine, 4-nitro,4-nitro-1,3-benzenediamine,1,3-diamino-4-nitrobenzene,m-phenylenediamine, 4-nitro,3-amino-4-nitrophenylamine,4-nitro-1,3-fenylendiamin,unii-0d5u5ew62z PubChem CID: 21208 IUPAC navn: 4-nitrobenzen-1,3-diamin SMIL: NC1=CC=C(C(N)=C1)[N+]([O-])=O

MDL nummer MFCD00025289
PubChem CID 21208
Molekylvægt (g/mol) 153.14
CAS 5131-58-8
Synonym 4-nitro-m-phenylenediamine,4-nitro-1,3-phenylenediamine,2,4-diaminonitrobenzene,1,3-benzenediamine, 4-nitro,4-nitro-1,3-benzenediamine,1,3-diamino-4-nitrobenzene,m-phenylenediamine, 4-nitro,3-amino-4-nitrophenylamine,4-nitro-1,3-fenylendiamin,unii-0d5u5ew62z
SMIL NC1=CC=C(C(N)=C1)[N+]([O-])=O
IUPAC navn 4-nitrobenzen-1,3-diamin
InChI nøgle DPIZKMGPXNXSGL-UHFFFAOYSA-N
Molekylær formel C6H7N3O2
3

GW 9662, Thermo Scientific Chemicals

CAS: 22978-25-2 Molekylær formel: C13H9ClN2O3 Molekylvægt (g/mol): 276.676 MDL nummer: MFCD01215270 InChI nøgle: DNTSIBUQMRRYIU-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723 PubChem CID: 644213 ChEBI: CHEBI:79993 IUPAC navn: 2-chlor-5-nitro-N-phenylbenzamid SMIL: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

MDL nummer MFCD01215270
PubChem CID 644213
Molekylvægt (g/mol) 276.676
CAS 22978-25-2
ChEBI CHEBI:79993
Synonym 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723
SMIL C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
IUPAC navn 2-chlor-5-nitro-N-phenylbenzamid
InChI nøgle DNTSIBUQMRRYIU-UHFFFAOYSA-N
Molekylær formel C13H9ClN2O3
4

3-Nitro-o-phenylendiamin, 98%

CAS: 3694-52-8 Molekylær formel: C6H7N3O2 Molekylvægt (g/mol): 153.141 MDL nummer: MFCD00007722 InChI nøgle: IOCXBXZBNOYTLQ-UHFFFAOYSA-N Synonym: 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 PubChem CID: 4359525 IUPAC navn: 3-nitrobenzen-1,2-diamin SMIL: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

MDL nummer MFCD00007722
PubChem CID 4359525
Molekylvægt (g/mol) 153.141
CAS 3694-52-8
Synonym 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427
SMIL C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
IUPAC navn 3-nitrobenzen-1,2-diamin
InChI nøgle IOCXBXZBNOYTLQ-UHFFFAOYSA-N
Molekylær formel C6H7N3O2
5

2-Amino-5-nitrobenzonitril, 95%

CAS: 17420-30-3 Molekylær formel: C7H5N3O2 Molekylvægt (g/mol): 163.136 MDL nummer: MFCD00007362 InChI nøgle: MGCGMYPNXAFGFA-UHFFFAOYSA-N Synonym: 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j PubChem CID: 28532 IUPAC navn: 2-amino-5-nitrobenzonitril SMIL: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N

MDL nummer MFCD00007362
PubChem CID 28532
Molekylvægt (g/mol) 163.136
CAS 17420-30-3
Synonym 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j
SMIL C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
IUPAC navn 2-amino-5-nitrobenzonitril
InChI nøgle MGCGMYPNXAFGFA-UHFFFAOYSA-N
Molekylær formel C7H5N3O2
6

2,6-dichlor-4-nitroanilin, 95%

CAS: 99-30-9 Molekylær formel: C6H4Cl2N2O2 Molekylvægt (g/mol): 207.01 MDL nummer: MFCD00007677 InChI nøgle: BIXZHMJUSMUDOQ-UHFFFAOYSA-N Synonym: dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide PubChem CID: 7430 ChEBI: CHEBI:27864 IUPAC navn: 2,6-dichlor-4-nitroanilin SMIL: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

MDL nummer MFCD00007677
PubChem CID 7430
Molekylvægt (g/mol) 207.01
CAS 99-30-9
ChEBI CHEBI:27864
Synonym dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide
SMIL C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
IUPAC navn 2,6-dichlor-4-nitroanilin
InChI nøgle BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Molekylær formel C6H4Cl2N2O2
7

3-Nitro-o-phenylendiamin, 98%

CAS: 3694-52-8 Molekylær formel: C6H7N3O2 Molekylvægt (g/mol): 153.14 MDL nummer: MFCD00007722 InChI nøgle: IOCXBXZBNOYTLQ-UHFFFAOYSA-N Synonym: 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 PubChem CID: 4359525 IUPAC navn: 3-nitrobenzen-1,2-diamin SMIL: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

MDL nummer MFCD00007722
PubChem CID 4359525
Molekylvægt (g/mol) 153.14
CAS 3694-52-8
Synonym 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427
SMIL C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
IUPAC navn 3-nitrobenzen-1,2-diamin
InChI nøgle IOCXBXZBNOYTLQ-UHFFFAOYSA-N
Molekylær formel C6H7N3O2
8

2-Nitro-p-phenylendiamin, 95%

CAS: 5307-14-2 Molekylær formel: C6H7N3O2 Molekylvægt (g/mol): 153.141 MDL nummer: MFCD00007903 InChI nøgle: HVHNMNGARPCGGD-UHFFFAOYSA-N Synonym: 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r PubChem CID: 4338370 ChEBI: CHEBI:76394 IUPAC navn: 2-nitrobenzen-1,4-diamin SMIL: C1=CC(=C(C=C1N)[N+](=O)[O-])N

MDL nummer MFCD00007903
PubChem CID 4338370
Molekylvægt (g/mol) 153.141
CAS 5307-14-2
ChEBI CHEBI:76394
Synonym 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r
SMIL C1=CC(=C(C=C1N)[N+](=O)[O-])N
IUPAC navn 2-nitrobenzen-1,4-diamin
InChI nøgle HVHNMNGARPCGGD-UHFFFAOYSA-N
Molekylær formel C6H7N3O2
9

2-Klor-4-nitroanilin, 98+%

CAS: 121-87-9 Molekylær formel: C6H5ClN2O2 Molekylvægt (g/mol): 172.568 MDL nummer: MFCD00007665 InChI nøgle: LOCWBQIWHWIRGN-UHFFFAOYSA-N Synonym: ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline PubChem CID: 8492 IUPAC navn: 2-chlor-4-nitroanilin SMIL: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N

MDL nummer MFCD00007665
PubChem CID 8492
Molekylvægt (g/mol) 172.568
CAS 121-87-9
Synonym ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline
SMIL C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
IUPAC navn 2-chlor-4-nitroanilin
InChI nøgle LOCWBQIWHWIRGN-UHFFFAOYSA-N
Molekylær formel C6H5ClN2O2
10

2-Nitro-1-propanol, 97%

CAS: 2902-96-7 Molekylær formel: C3H7NO3 Molekylvægt (g/mol): 105.09 MDL nummer: MFCD00007398 InChI nøgle: PCNWBUOSTLGPMI-UHFFFAOYNA-N Synonym: 2-nitro-1-propanol,2-nitropropanol,1-propanol, 2-nitro,2-nitropropanol-1,ccris 5045,2-nitro-propan-1-ol,acmc-20anp9,1-hydroxy-2-nitropropane,1-propanol, 2-nitro-8ci PubChem CID: 92187 IUPAC navn: 2-nitropropan-1-ol SMIL: CC(CO)[N+]([O-])=O

MDL nummer MFCD00007398
PubChem CID 92187
Molekylvægt (g/mol) 105.09
CAS 2902-96-7
Synonym 2-nitro-1-propanol,2-nitropropanol,1-propanol, 2-nitro,2-nitropropanol-1,ccris 5045,2-nitro-propan-1-ol,acmc-20anp9,1-hydroxy-2-nitropropane,1-propanol, 2-nitro-8ci
SMIL CC(CO)[N+]([O-])=O
IUPAC navn 2-nitropropan-1-ol
InChI nøgle PCNWBUOSTLGPMI-UHFFFAOYNA-N
Molekylær formel C3H7NO3
11

2-Fluoro-4-nitroanilin, 95%

CAS: 369-35-7 Molekylær formel: C6H5FN2O2 Molekylvægt (g/mol): 156.116 MDL nummer: MFCD00034560 InChI nøgle: LETNCFZQCNCACQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline PubChem CID: 101254 IUPAC navn: 2-fluor-4-nitroanilin SMIL: C1=CC(=C(C=C1[N+](=O)[O-])F)N

MDL nummer MFCD00034560
PubChem CID 101254
Molekylvægt (g/mol) 156.116
CAS 369-35-7
Synonym 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline
SMIL C1=CC(=C(C=C1[N+](=O)[O-])F)N
IUPAC navn 2-fluor-4-nitroanilin
InChI nøgle LETNCFZQCNCACQ-UHFFFAOYSA-N
Molekylær formel C6H5FN2O2
12

2-Klor-5-nitroanilin, 98%

CAS: 6283-25-6 Molekylær formel: C6H5ClN2O2 Molekylvægt (g/mol): 172.568 MDL nummer: MFCD00007668 InChI nøgle: KWIXNFOTNVKIGM-UHFFFAOYSA-N Synonym: benzenamine, 2-chloro-5-nitro,6-chloro-3-nitroaniline,2-chloro-5-nitro aniline,aniline, 2-chloro-5-nitro,2-chloro-5-nitrobenzenamine,aniline, 6-chloro-3-nitro,2-chloro-5-nitrophenylamine,2-chloro-5-nitro-benzamine,pubchem21904,3-nitro-6-chloroaniline PubChem CID: 22691 IUPAC navn: 2-chlor-5-nitroanilin SMIL: C1=CC(=C(C=C1[N+](=O)[O-])N)Cl

MDL nummer MFCD00007668
PubChem CID 22691
Molekylvægt (g/mol) 172.568
CAS 6283-25-6
Synonym benzenamine, 2-chloro-5-nitro,6-chloro-3-nitroaniline,2-chloro-5-nitro aniline,aniline, 2-chloro-5-nitro,2-chloro-5-nitrobenzenamine,aniline, 6-chloro-3-nitro,2-chloro-5-nitrophenylamine,2-chloro-5-nitro-benzamine,pubchem21904,3-nitro-6-chloroaniline
SMIL C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
IUPAC navn 2-chlor-5-nitroanilin
InChI nøgle KWIXNFOTNVKIGM-UHFFFAOYSA-N
Molekylær formel C6H5ClN2O2
13

2-nitroanilin, 98%

CAS: 88-74-4 Molekylær formel: C6H6N2O2 Molekylvægt (g/mol): 138.126 MDL nummer: MFCD00007687 InChI nøgle: DPJCXCZTLWNFOH-UHFFFAOYSA-N Synonym: o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene PubChem CID: 6946 IUPAC navn: 2-nitroanilin SMIL: C1=CC=C(C(=C1)N)[N+](=O)[O-]

MDL nummer MFCD00007687
PubChem CID 6946
Molekylvægt (g/mol) 138.126
CAS 88-74-4
Synonym o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene
SMIL C1=CC=C(C(=C1)N)[N+](=O)[O-]
IUPAC navn 2-nitroanilin
InChI nøgle DPJCXCZTLWNFOH-UHFFFAOYSA-N
Molekylær formel C6H6N2O2
14

5-klor-2-nitroanilin, 97%

CAS: 1635-61-6 Molekylær formel: C6H5ClN2O2 Molekylvægt (g/mol): 172.568 MDL nummer: MFCD00007776 InChI nøgle: ZCWXYZBQDNFULS-UHFFFAOYSA-N Synonym: 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline PubChem CID: 74218 IUPAC navn: 5-chlor-2-nitroanilin SMIL: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

MDL nummer MFCD00007776
PubChem CID 74218
Molekylvægt (g/mol) 172.568
CAS 1635-61-6
Synonym 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline
SMIL C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
IUPAC navn 5-chlor-2-nitroanilin
InChI nøgle ZCWXYZBQDNFULS-UHFFFAOYSA-N
Molekylær formel C6H5ClN2O2
15

2-nitro-2-methyl-1,3-propandiol, 99 %, Thermo Scientific Chemicals

CAS: 77-49-6 Molekylær formel: C4H9NO4 Molekylvægt (g/mol): 135.12 MDL nummer: MFCD00024812 InChI nøgle: LOTYADDQWWVBDJ-UHFFFAOYSA-N Synonym: 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy PubChem CID: 6480 IUPAC navn: 2-methyl-2-nitropropan-1,3-diol SMIL: CC(CO)(CO)[N+]([O-])=O

MDL nummer MFCD00024812
PubChem CID 6480
Molekylvægt (g/mol) 135.12
CAS 77-49-6
Synonym 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy
SMIL CC(CO)(CO)[N+]([O-])=O
IUPAC navn 2-methyl-2-nitropropan-1,3-diol
InChI nøgle LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molekylær formel C4H9NO4