2-Bromo-5-nitrobenzotrifluoride (HCID 136198)

Names & identifiers

Preferred name: 2-Bromo-5-nitrobenzotrifluoride
IUPAC: 1-bromo-4-nitro-2-(trifluoromethyl)benzene
English name: 2-Bromo-5-nitrobenzotrifluoride
Molecular formula: C7H3BrF3NO2
Molecular weight: 270

Names & synonyms

2-Bromo-5-nitrobenzotrifluoride367-67-9DTXSID80190150RefChem:85784DTXCID90112641609-288-8SXEQQBBOAMHOID-UHFFFAOYSA-N1-bromo-4-nitro-2-(trifluoromethyl)benzeneMFCD00014707Benzene, 1-bromo-4-nitro-2-(trifluoromethyl)-Bicalutamide Impurity 172-trifluoromethyl-4-nitrobromobenzene

Show more names

2-Bromo-5-nitrobenzoAlvocidib Impurity 32LABOTEST-BB LT01143236Bicalutamide Impurity 5Bicalutamide Impurity 3Bicalutamide Impurity 10Bicalutamide Impurity 202-Bromo-5-nitrobenzotrifluorid2-broMo-5-nitrotrifluorotoluol2-Bromo-5-nitrobenzotrifluride

CS-W010102AC-15582DS-10585SY0170491-Bromo-4-nitro-2-trifluoromethyl-benzeneB36865-nitro-2-bromobenzotrifluoride4-BROMO-3-(TRIFLUOROMETHYL)NITROBENZENE

Database identifiers

CAS: 367-67-9
PubChem CID: 136198
DTXSID: DTXSID80190150
EC Number: 609-288-8
Nikkaji: J1.375.097A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 41 · 41-44 °C (lit.)
Boiling point: 87 · 87-88 °C/3 mmHg (lit.)
Density: 1.775 · 1.7750 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow to Green
BRN: 2460260 · 2460260
Exposure limits: 2.5 mg/m3NIOSH: · ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
InChI: InChI=1S/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey: SXEQQBBOAMHOID-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C([N+]([O-])=O)C=C1C(F)(F)F
CAS DataBase Reference: 367 · 367-67-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H302-H312-H332-H335
Precautionary statements: 280 h-P305+P351+P338-P337+P313-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 · P280h-P305+P351+P338-P337+P313-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 37 · 37/39-26-24/25
RIDADR: 2306 · 2306
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29049090 · 29049090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (16.7%): 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 6 reports by companies from 3 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

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: 2306
hs_code: 29049090
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302+H312+H332-H315-H319-H302-H312-H332-H335
Precautionary statements: P280h-P305+P351+P338-P337+P313-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501

Chemistry & industry

Applications · 1 item

Uses2-Bromo-5-nitrobenzotrifluoride may be used in the preparation of:new unsymmetrical diamine monomer containing both the benzimidazole ring and trifluoromethyl group, 6,4′-diamino-2′-trifluoromethyl-2-phenylbenzimidazole2,5-bis[(4-nitro-2-trifluoromethylphenoxy)-phenyl]diphenylphosphine oxide (BNTFDPO)