2-Fluoro-5-(trifluoromethyl)benzonitrile

HCID 521016

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4088-84-0
표준 SMILES: N#Cc1cc(C(F)(F)F)ccc1F
InChIKey: LCLVMSCLLULGRY-UHFFFAOYSA-N
분자식: C8H3F4N
평균 분자량: 189.11 g/mol
단동위원소 질량: 189.02016198

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-5-(trifluoromethyl)benzonitrile
영어명: 2-Fluoro-5-(trifluoromethyl)benzonitrile
분자식: C8H3F4N
분자량: 189.11

이름 및 동의어

2-Fluoro-5-(trifluoromethyl)benzonitrile4088-84-0DTXSID40334533RefChem:87092DTXCID50285623642-645-6LCLVMSCLLULGRY-UHFFFAOYSA-N2-fluoro-5-trifluoromethylbenzonitrile3-cyano-4-fluorobenzotrifluorideBenzonitrile, 2-fluoro-5-(trifluoromethyl)-MFCD00061280alpha,alpha,alpha,6-Tetrafluoro-m-tolunitrile

이름 더 보기

3-Cyano-4-fluorobenzà,à,à,6-tetrafluoro-m-tolunitrile2-Fluoro-5-(trifluoromethyl)benzonitrile>2-Fluoro-5-(trifluoromethyl)benzonitrile97%2-Cyano-1-fluoro-4-(trifluoromethyl)benzene2-Fluoro-5-(trifluoromethyl)benzonitrile 97%alpha,alpha,alpha-6-Tetrafluoro-m-tolunitrile

PS-8421SY0145472-fluoro-5-(trifluoromethyl)benzenecarbonitrileEN300-104085FT-0612348SCHEMBL283060SBB064081AKOS005255560

데이터베이스 식별자

CAS: 4088-84-0
PubChem CID: 521016
DTXSID: DTXSID40334533
EC Number: 642-645-6
Nikkaji: J3.600.731A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 226

물리화학적 성질

끓는 점: 185 · 185-187°C
밀도: 1.373 · 1.373
굴절률: 1.446 · 1.446
인화점: 185 · 185-187°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.37 · 1.37
BRN: 2616671 · 2616671

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (16.7%)

안전 데이터

ridadr: 3276
HS 번호: 29269090
risk_code: 20/21/22-36/37/38-22
hazard_code: T,Xi,Xn
safety_code: 26-36/37/39-45-36-36/37-23-9
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic

화학 및 산업

응용 분야 · 1건

용도2-Fluoro-5-(trifluoromethyl)benzonitrile is an important intermediate in organic synthesis and is used to synthesize a variety of complex organic compounds, including specific molecules in the fields of medicine, pesticides and materials science.