2-Bromo-5-nitrobenzotrifluoride

HCID 136198CAS 367-67-9

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1
InChIKey: SXEQQBBOAMHOID-UHFFFAOYSA-N
분자식: C7H3BrF3NO2
평균 분자량: 270 g/mol
단동위원소 질량: 268.9299251

이름 및 식별자

우선 이름: 2-Bromo-5-nitrobenzotrifluoride
IUPAC: 1-bromo-4-nitro-2-(trifluoromethyl)benzene
영어명: 2-Bromo-5-nitrobenzotrifluoride
분자식: C7H3BrF3NO2
분자량: 270

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 41 · 41-44 °C (lit.)
끓는 점: 87 · 87-88 °C/3 mmHg (lit.)
밀도: 1.775 · 1.7750 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Light yellow to Green
BRN: 2460260 · 2460260
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

화학적 성질

yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2306
HS 번호: 29049090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-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)