2-Chloro-4-methoxy-1-nitrobenzene

HCID 593789

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Basic information

CAS: 28987-59-9
Standard SMILES: COc1ccc([N+](=O)[O-])c(Cl)c1
InChIKey: QTIDRIQSPAELJC-UHFFFAOYSA-N
Molecular formula: C7H6ClNO3
Average molar mass: 187.58 g/mol
Monoisotopic mass: 187.00362073

Names & identifiers

Preferred name: 2-Chloro-4-methoxy-1-nitrobenzene
IUPAC: 2-chloro-4-methoxy-1-nitrobenzene
English name: 2-CHLORO-4-METHOXYNITROBENZENE
Molecular formula: C7H6ClNO3
Molecular weight: 187.58

Names & synonyms

2-Chloro-4-methoxy-1-nitrobenzene28987-59-9DTXSID50343999RefChem:1062782DTXCID002950753-Chloro-4-nitroanisole2-Chloro-4-methoxynitrobenzeneMFCD00156594Benzene, 2-chloro-4-methoxy-1-nitro-SCHEMBL1629413AKOS009493275MB00782

Show more names

APAZ-0042-Chloro-4-methoxynitroAnisole, 3-chloro-4-nitro-2-CHLORO-4-METHOXY-1 NITROBENZENE (5GMS)2-CHLORO-4-METHOXY-1 NITROBENZENE (220 G

s10425AC-24714SY103861CS-0028772EN300-1064332-chloro-4-methoxy nitrobenzene2-chloro-4-methoxy-1-nitro-benzeneFT-0702055

Database identifiers

CAS: 28987-59-9
PubChem CID: 593789
DTXSID: DTXSID50343999
Nikkaji: J160.875D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Density: 1.366 · 1.366
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302-H313-H317-H373
Precautionary statements: 260 · P260-P264b-P270-P272-P280g-P301+P312-P302+P352-P314-P330-P333+P313-P363-P403-P501c
HS Code: 2909309090 · 2909309090

Safety & regulation

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07,GHS08
Hazard statements: H302-H313-H317-H373
Precautionary statements: P260-P264b-P270-P272-P280g-P301+P312-P302+P352-P314-P330-P333+P313-P363-P403-P501c