CAS 89642-16-0 1-(Bromomethyl)-2-chloro-3-nitrobenzene (HCID 18363045)

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Basic information

CAS: 89642-16-0
Standard SMILES: O=[N+]([O-])c1cccc(CBr)c1Cl
InChIKey: DRVMWOLRMDEQHK-UHFFFAOYSA-N
Molecular formula: C7H5BrClNO2
Average molar mass: 250.48 g/mol
Monoisotopic mass: 248.91921818

Names & identifiers

Preferred name: 1-(Bromomethyl)-2-chloro-3-nitrobenzene
IUPAC: 1-(bromomethyl)-2-chloro-3-nitrobenzene
English name: Benzene, 1-(bromomethyl)-2-chloro-3-nitro-
Molecular formula: C7H5BrClNO2
Molecular weight: 250.48

Names & synonyms

1-(BROMOMETHYL)-2-CHLORO-3-NITROBENZENE89642-16-0DTXSID30593117RefChem:226184DTXCID00543881969-000-42-Chloro-3-nitrobenzyl bromideBenzene, 1-(bromomethyl)-2-chloro-3-nitro-SCHEMBL843884DRVMWOLRMDEQHK-UHFFFAOYSA-NMFCD115058971-bromomethyl-2-chloro-3-nitrobenzene

Show more names

2-Chloro-3-nitrobenzyl bromide 1-(Bromomethyl)-2-chloro-3-nitrobenzene

AKOS016003327DB-009137EN300-127569F85806

Database identifiers

CAS: 89642-16-0
PubChem CID: 18363045
DTXSID: DTXSID30593117
EC Number: 969-000-4

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 173

Physicochemical properties

Boiling point: 332.1 · 332.1±27.0 °C(Predicted)
Density: 1.755 · 1.755±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.