4-Methylbenzotrifluoride

HCID 80230CAS 6140-17-6

기본 정보

표준 SMILES: Cc1ccc(C(F)(F)F)cc1
InChIKey: LRLRAYMYEXQKID-UHFFFAOYSA-N
분자식: C8H7F3
평균 분자량: 160.14 g/mol
단동위원소 질량: 160.04998488

이름 및 식별자

우선 이름: 4-Methylbenzotrifluoride
IUPAC: 1-methyl-4-(trifluoromethyl)benzene
영어명: 4-Methylbenzotrifluoride
분자식: C8H7F3
분자량: 160.14

이름 및 동의어

4-Methylbenzotrifluoride6140-17-61-methyl-4-(trifluoromethyl)benzenep-methylbenzotrifluoridealpha,alpha,alpha-Trifluoro-p-xyleneBenzene, 1-methyl-4-(trifluoromethyl)-EINECS 228-124-2JH7JBW374Bp-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-DTXSID10210335RefChem:525554DTXCID10132826

이름 더 보기

4-MethylbenzotrifluoMethyl trifluoroMethyl4-METHYLBENZTRIFLUORIDE4-MethylbenzotrifuorideMethyl benzotrifluorideα,α,α-trifluoro-p-xylene

p-Xylene, alpha,alpha,alpha-trifluoro-228-124-24-(trifluoromethyl)tolueneMFCD000754764-Trifluoromethyltoluene4-methyl-1-(trifluoromethyl)benzenep-trifluoromethyltolueneUNII-JH7JBW374B

데이터베이스 식별자

CAS: 6140-17-6
PubChem CID: 80230
DTXSID: DTXSID10210335
UNII: JH7JBW374B
EC Number: 228-124-2
Nikkaji: J104.486I

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 129 · 129-130 °C
끓는 점: 129 °C · 129 °C(lit.)
밀도: 1.144 g/mL · 1.144 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.426(lit.)
인화점: 81 °F · 81 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.144 · 1.144
색상: 무색의
BRN: 1863596 · 1863596
NIST: 1 · Benzene, 1-methyl-4-(trifluoromethyl)-(6140-17-6)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.