1-Ethenyl-4-(trifluoromethyl)benzene

HCID 2782798

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 402-50-6
표준 SMILES: C=Cc1ccc(C(F)(F)F)cc1
InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
분자식: C9H7F3
평균 분자량: 172.15 g/mol
단동위원소 질량: 172.04998471

이름 및 식별자

우선 이름: 1-Ethenyl-4-(trifluoromethyl)benzene
IUPAC: 1-ethenyl-4-(trifluoromethyl)benzene
영어명: 4-(Trifluoromethyl)styrene
분자식: C9H7F3
분자량: 172.15

이름 및 동의어

1-ethenyl-4-(trifluoromethyl)benzeneRefChem:432180625-856-8402-50-64-(Trifluoromethyl)styrene1-(trifluoromethyl)-4-vinylbenzene4-Trifluoromethylstyrene4-VinylbenzotrifluorideMFCD00075539Benzene, 1-ethenyl-4-(trifluoromethyl)-4-trifluoromethyl-styrene4-(Trifluoromethyl)styrene (stabilized with TBC)

이름 더 보기

DK773-4-vinylbenzene4-(Trifluoromethyl)styrene 98%4-(TrifluoroMethyl)styrene, 98%, stab.4-(Trifluoromethyl)styrene, stabilizedBenzenepropanoicacid,5-methyl-β-oxo-,ethylester

SCHEMBL476560SCHEMBL12113013DTXSID50382303F20941p-trifluoromethylstyrene1-(trifluoromethyl)-4-vinyl-benzene4-trifluoromethystyreneFT-0649110

데이터베이스 식별자

CAS: 402-50-6
PubChem CID: 2782798
DTXSID: DTXSID50382303
EC Number: 625-856-8
Nikkaji: J634.299J

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 65 · 65-66 °C40 mm Hg(lit.)
밀도: 1.165 g/mL · 1.165 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.466(lit.)
인화점: 108 °F · 108 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색~담황색 투명
수용성: 물에 불용성.
BRN: 1863548 · 1863548
InChI: InChI=1S/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2
InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
SMILES: C1(C=C)=CC=C(C(F)(F)F)C=C1

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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.