4-(Chloromethyl)-2-nitroanisole

HCID 80785

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Basic information

CAS: 6378-19-4
Standard SMILES: COc1ccc(CCl)cc1[N+](=O)[O-]
InChIKey: DKRYRFRNGLTDMB-UHFFFAOYSA-N
Molecular formula: C8H8ClNO3
Average molar mass: 201.61 g/mol
Monoisotopic mass: 201.0192708

Names & identifiers

Preferred name: 4-(Chloromethyl)-2-nitroanisole
IUPAC: 4-(chloromethyl)-1-methoxy-2-nitrobenzene
English name: 4-(chloromethyl)-2-nitroanisole
Molecular formula: C8H8ClNO3
Molecular weight: 201.61

Names & synonyms

4-(Chloromethyl)-2-nitroanisoleEINECS 228-949-8DTXSID10213220NSC 19935RefChem:515601DTXCID10135711228-949-84-(chloromethyl)-1-methoxy-2-nitrobenzene6378-19-44-methoxy-3-nitrobenzyl chloridePUB2MLM8PMBenzene, 4-(chloromethyl)-1-methoxy-2-nitro-

Show more names

1-Chloromethyl-4-methoxy-3-nitrobenzene4-(Chloromethyl)-1-(methyloxy)-2-nitrobenzenetetrasodium 2-[[7-[[bis(carboxylatomethyl)amino]methyl]-9-(2-carboxyphenyl)-3-hydroxy-6-oxo-2-xanthenyl]methyl-(carboxylatomethyl)amino]acetate

NSC-19935NSC19935UNII-PUB2MLM8PMSCHEMBL4993434-methoxy-3-nitrobenzylchloride3-nitro-4-methoxybenzyl chlorideGAA37819Anisole, 4-(chloromethyl)-2-nitro-

Database identifiers

CAS: 6378-19-4
PubChem CID: 80785
DTXSID: DTXSID10213220
UNII: PUB2MLM8PM
EC Number: 228-949-8
Nikkaji: J29.523J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 87 · 87-88℃
Density: 1.317 · 1.317±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · 2-8°C
FDA UNII: 2 MLM8PM · PUB2MLM8PM

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.