CAS 37138-82-2 2,6-Dichloro-4-nitroanisole (HCID 169862)

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Basic information

CAS: 37138-82-2
Standard SMILES: COc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
InChIKey: OQRXLBNJKPMELG-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO3
Average molar mass: 222.02 g/mol
Monoisotopic mass: 220.96464838

Names & identifiers

Preferred name: 2,6-Dichloro-4-nitroanisole
IUPAC: 1,5-dichloro-2-methoxy-3-nitrobenzene
English name: 2,4-Dichloro-6-nitroanisole
Molecular formula: C7H5Cl2NO3
Molecular weight: 222.03

Names & synonyms

37138-82-2DTXSID30190625RefChem:83171DTXCID701131162,6-Dichloro-4-nitroanisole1,5-dichloro-2-methoxy-3-nitrobenzene2,4-dichloro-6-nitroanisoleMFCD09037656Benzene, 1,5-dichloro-2-methoxy-3-nitro-2,4-Dichlor-6-Nitroanisol2-nitro-4,6-dichloroanisoleSCHEMBL6701537

Show more names

2-cyano-2-cyclohexylacetic acid ethyl ester

OQRXLBNJKPMELG-UHFFFAOYSA-NAKOS0227989671,5-dichloro-2-methoxy-3-nitro-benzene1,5-Dichloro-2-methoxy-3-nitro BenzeneCS-16496DA-30199CS-0098781F611735

Database identifiers

CAS: 37138-82-2
PubChem CID: 169862
DTXSID: DTXSID30190625
Nikkaji: J89.153C

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 197

Physicochemical properties

Boiling point: 299 · 299.0±35.0 °C(Predicted)
Density: 1.488 · 1.488±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2909309090 · 2909309090