4-Bromo-3-nitrobenzotrifluoride

1-bromo-2-nitro-4-(trifluoromethyl)benzene · TIMTEC-BB SBB009903 · 3-nitro-4-broMotrifluorotoluol · 4-BroMo-3-nitro-trifluoroMethyl · 3-NITRO-4-BROMOBENZOTRIFLUORIDE · 4-BROMO-3-NITROBENZOTRIFLUORIDE · 2-Nitro-5-Bromotrifluorotoluene · 4-Bromo-3-nitrobenzotrifluoride99%

https://huagongshe.com/ko/chemical/520706

식별자 및 물리적 특성

CAS No.	349-03-1
분자식	C7H3BrF3NO2
평균 분자량	270 g/mol
단동위원소 질량	268.9299251 g/mol
SMILES	O=[N+]([O-])c1cc(C(F)(F)F)ccc1Br
InChIKey	PESPBNYBZVIGRO-UHFFFAOYSA-N
PubChem CID	520706
EC No.	670-406-6
DTXSID	DTXSID60334434

화학 및 물리적 성질

XLogP	2.8
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	228
끓는 점	90 °C (3 mmHg)
밀도	1.763 g/mL at 25 °C (lit.)
굴절률	n20/D 1.511(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	투명한 액체
색상	Light yellow to Amber to Dark green
비중	1.763
BRN	2417762
InChI	1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey	PESPBNYBZVIGRO-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1cc(ccc1Br)C(F)(F)F

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
관세 코드	29049090
위험 문구(R)	36/37/38-20/21/22-36/38
위험 표시	Xn,Xi
안전 문구(S)	36/37/39-26-37/39-36/37
위험 등급	IRRITANT
저장 분류	10 - Combustible liquids

용도

4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.

일반 설명

4-Bromo-3-nitrobenzotrifluoride is an organic building block.