1-(Bromomethyl)-3-fluoro-5-nitrobenzene

HCID 64770545

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Basic information

CAS: 883987-75-5
Standard SMILES: O=[N+]([O-])c1cc(F)cc(CBr)c1
InChIKey: PKGNYGZIPJHZPG-UHFFFAOYSA-N
Molecular formula: C7H5BrFNO2
Average molar mass: 234.02 g/mol
Monoisotopic mass: 232.94877

Names & identifiers

Preferred name: 1-(Bromomethyl)-3-fluoro-5-nitrobenzene
IUPAC: 1-(bromomethyl)-3-fluoro-5-nitrobenzene
English name: 3-Fluoro-5-nitrobenzyl bromide
Molecular formula: C7H5BrFNO2
Molecular weight: 234.02

Names & synonyms

883987-75-51-(bromomethyl)-3-fluoro-5-nitrobenzeneRefChem:427288969-852-73-fluoro-5-nitrobenzyl bromideMFCD131856233-fluoro-5-nitrobenzylbromideBenzene, 1-(bromomethyl)-3-fluoro-5-nitro-SCHEMBL1098949PKGNYGZIPJHZPG-UHFFFAOYSA-NIKB98775AKOS014098893

Show more names

AT11185PS-98581-(bromomethyl)-3-fluoro-5-nitro-benzeneDB-294280F836487

Database identifiers

CAS: 883987-75-5
PubChem CID: 64770545
EC Number: 969-852-7

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 173

Physicochemical properties

form: crystalline solid
color: Pale khaki lemon to faint tan, mushy
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 310 · P310-P260-P280
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.