Benzenamine, 2-chloro-N,N-dimethyl-4-nitro-

HCID 80343

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Basic information

CAS: 6213-19-0
Standard SMILES: CN(C)c1ccc([N+](=O)[O-])cc1Cl
InChIKey: OZKAWTHGBGLZKC-UHFFFAOYSA-N
Molecular formula: C8H9ClN2O2
Average molar mass: 200.62 g/mol
Monoisotopic mass: 200.03525521

Names & identifiers

Preferred name: Benzenamine, 2-chloro-N,N-dimethyl-4-nitro-
IUPAC: 2-chloro-N,N-dimethyl-4-nitroaniline
English name: 2-CHLORO-N,N-DIMETHYL-4-NITROANILINE
Molecular formula: C8H9ClN2O2
Molecular weight: 200.62

Names & synonyms

Benzenamine, 2-chloro-N,N-dimethyl-4-nitro-EINECS 228-280-13-Chloro-4-dimethylaminonitrobenzeneRefChem:5616872-Chloro-N,N-dimethyl-4-nitroaniline6213-19-02-Chloro-NN-dimethyl-4-nitroaniline2-Chloro-N,N-dimethyl-4-nitrobenzenamineN,N-Dimethyl-4-nitro-2-chloroanilineMFCD00043604(2-chloro-4-nitrophenyl)dimethylamine3-chloro-4-(dimethylamino)nitrobenzene

Show more names

TIMTEC-BB SBB0079742-CHLORO-4-NITRO-N,N-DIMETHYLANILINE4-nitro-2-chloro-N,N-diMethylaniline(2E)-3-(5-methyl-26-furyl)acrylic acid2-Chloro-N,N-dimethyl-4-nitroaniline,96%2-chloro-n,n-dimethyl-4-nitro-benzenamin

C2G2Z7FPY4SCHEMBL4802337DTXSID9064136SBB007974STK691294AKOS0051476572-chloro-N,N-dimethyl-4-nitro-aniline3-chloro-4-(dimethylamino) nitrobenzene

Database identifiers

CAS: 6213-19-0
PubChem CID: 80343
DTXSID: DTXSID9064136
UNII: C2G2Z7FPY4
EC Number: 228-280-1
Nikkaji: J211.457G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 78 °C · 78 °C(Solv: ethanol (64-17-5))
Boiling point: 297.6 · 297.6±25.0 °C(Predicted)
Density: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: Solid
pka: 0.02 · 0.02±0.30(Predicted)
Appearance: Light yellow to yellow Solid
CAS DataBase Reference: 6213 · 6213-19-0
EPA Substance Registry System: -4 · N,N-Dimethyl-4-nitro-2-chloroaniline (6213-19-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P280h-P301+P312a-P304+P340-P321-P501a
TSCA: TSCA listed
HazardClass: 6.1 · 6.1