CAS 146070-34-0 2-Fluoro-4-(trifluoromethyl)benzonitrile (HCID 518973)

이름 및 식별자

우선 이름: 2-Fluoro-4-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-4-(trifluoromethyl)benzonitrile
영어명: 2-Fluoro-4-(trifluoromethyl)benzonitrile
분자식: C8H3F4N
분자량: 189.11

이름 및 동의어

2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-0alpha,alpha,alpha,2-Tetrafluoro-p-tolunitrileJLTYVTXTSOYXMX-UHFFFAOYSA-DTXSID90333859.alpha.,.alpha.,.alpha.,2-Tetrafluoro-p-tolunitrileRefChem:87068DTXCID00284949626-086-5InChI=1/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3HJLTYVTXTSOYXMX-UHFFFAOYSA-NBenzonitrile, 2-fluoro-4-(trifluoromethyl)-

이름 더 보기

BUTTPARK 45\03-646-FLUORO-O-ANISONITRILE2-CYANO-3-FLUOROANISOLE4-CYANO-3-FLUOROBENZOTRIFLUORIDE3-FLUORO-4-CYANO-BENZOTRIFLUORIDEα,α,α,2-tetrafluoro-p-tolunitrileà,à,à,2-tetrafluoro-p-tolunitrile2-Fluoro-4-(trifluorMethyl )benzonitrile2-Fluoro-4-(trifluoromethyl)benzonitrile97%

MFCD000612793-fluoro-4-cyanobenzotrifluoride2-fluoro-4-(trifluoromethyl)benzenecarbonitrile2-fluoro-4-trifluoromethylbenzonitrile2-fluoro-4-trifluoromethyl-benzonitrileSCHEMBL4954262-fluoro4-trifluoromethylbenzonitrileSBB063882

데이터베이스 식별자

CAS: 146070-34-0
PubChem CID: 518973
DTXSID: DTXSID90333859
EC Number: 626-086-5
Nikkaji: J1.130.613F

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

녹는점: 103 · 103-105 °C(lit.)
끓는 점: 178 · 178-180°C
밀도: 1.358 g/mL · 1.358 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.446(lit.)
인화점: 168 °F · 168 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
Specific Gravity: 1.358 · 1.358
BRN: 8313354 · 8313354
InChI: 1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChIKey: JLTYVTXTSOYXMX-UHFFFAOYSA-N
SMILES: Fc1cc(ccc1C#N)C(F)(F)F
NIST: 2 · 2-Fluoro-4-(trifluoromethyl)benzonitrile(146070-34-0)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29269090
risk_code: 36/37/38-20/21/22
hazard_code: Xn,T,Xi
safety_code: 26-36/37/39-45-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids