4-Bromo-2,5-difluoronitrobenzene

HCID 2736286CAS 167415-27-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cc(F)c(Br)cc1F
InChIKey: GJFYMYJYPARISZ-UHFFFAOYSA-N
Molecular formula: C6H2BrF2NO2
Average molar mass: 237.99 g/mol
Monoisotopic mass: 236.92369684

Names & identifiers

Preferred name: 4-Bromo-2,5-difluoronitrobenzene
IUPAC: 1-bromo-2,5-difluoro-4-nitrobenzene
English name: 4-Bromo-2,5-difluoronitrobenzene
Molecular formula: C6H2BrF2NO2
Molecular weight: 237.99

Names & synonyms

4-Bromo-2,5-difluoronitrobenzene167415-27-2DTXSID20371249RefChem:98025DTXCID90322283670-770-6GJFYMYJYPARISZ-UHFFFAOYSA-N1-bromo-2,5-difluoro-4-nitrobenzeneBenzene, 1-bromo-2,5-difluoro-4-nitro-MFCD000421844-bromo-2,5-difluoro-1-nitrobenzene1-bromo-2,5-difluoro-4-nitro-benzene

Show more names

BUTTPARK 29\01-584-Bromo-2,5-difluoronitrobenzene >Benzene, 1-bromo-2,5-difluoro-4-nitro-4-BROMO-2,5-DIFLUORONITROBENZENE ISO 9001：2015 REACH

2,5-difluoro-4-bromo-nitrobenzene5-bromo-1,4-difluoro-2-nitrobenzeneCS-W0088492,5-Difluoro-4-bromonitrobenzeneSCHEMBL310906SCHEMBL297400552,5-Difluoro-4-bromo nitrobenzeneBBL103581

Database identifiers

CAS: 167415-27-2
PubChem CID: 2736286
DTXSID: DTXSID20371249
EC Number: 670-770-6

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 55 °C · 55 °C
Boiling point: 262.4 · 262.4±35.0 °C(Predicted)
Density: 1.89 · 1.890±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: Light orange to Yellow to Green
BRN: 7411347 · 7411347
CAS DataBase Reference: 167415 · 167415-27-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H301-H311-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36/37/39-36/37
Hazard Note: Irritant
HazardClass: IRRITANT, TOXIC
HS Code: 29042090 · 29042090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (10%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 29042090
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36/37/39-36/37
hazard_class: IRRITANT, TOXIC
Hazard statements: H302+H312+H332-H315-H319-H301-H311-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P301+P310a-P305+P351+P338-P405-P501a