CAS 5472-99-1 1-Chloro-3-methoxy-2-nitrobenzene (HCID 232268)

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Basic information

CAS: 5472-99-1
Standard SMILES: COc1cccc(Cl)c1[N+](=O)[O-]
InChIKey: JFDFFRYBIFYDKP-UHFFFAOYSA-N
Molecular formula: C7H6ClNO3
Average molar mass: 187.58 g/mol
Monoisotopic mass: 187.00362073

Names & identifiers

Preferred name: 1-Chloro-3-methoxy-2-nitrobenzene
IUPAC: 1-chloro-3-methoxy-2-nitrobenzene
English name: 1-chloro-3-methoxy-2-nitro-benzene
Molecular formula: C7H6ClNO3
Molecular weight: 187.58

Names & synonyms

1-chloro-3-methoxy-2-nitrobenzene5472-99-11-Chloro-3-methoxy-2-nitro-benzene3-chloro-2-nitroanisoleBenzene, 1-chloro-3-methoxy-2-nitro-MFCD14455916ChlornitroanisolNSC29552SCHEMBL102120DTXSID00283073JFDFFRYBIFYDKP-UHFFFAOYSA-NFAA47299

Show more names

1-chloro-3-methoxy-2-nitrobenzene1-chloro-3-methoxy-2-nitrobenzene

NSC-29552SBB090639AKOS006221383AC-24345BS-28745SY179340DB-071901CS-0137632

Database identifiers

CAS: 5472-99-1
PubChem CID: 232268
DTXSID: DTXSID00283073
EC Number: 880-275-9
Nikkaji: J160.876B

Properties

Computed structural properties

XLogP: 2.3
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

Physicochemical properties

Melting point: 90 °C · 90 °C
Boiling point: 292.2 · 292.2±20.0 °C(Predicted)
Density: 1.366 · 1.366±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2909309090 · 2909309090

Safety & regulation

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501