1,2,3-Trichloro-5-(trifluoromethyl)benzene

HCID 2733399CAS 50594-82-6

기본 정보

표준 SMILES: FC(F)(F)c1cc(Cl)c(Cl)c(Cl)c1
InChIKey: FBKFIAIRSQOXJR-UHFFFAOYSA-N
분자식: C7H2Cl3F3
평균 분자량: 249.4 g/mol
단동위원소 질량: 247.91741776

이름 및 식별자

우선 이름: 1,2,3-Trichloro-5-(trifluoromethyl)benzene
IUPAC: 1,2,3-trichloro-5-(trifluoromethyl)benzene
영어명: 3,4,5-Trichlorobenzotrifluoride
분자식: C7H2Cl3F3
분자량: 249.45

이름 및 동의어

3,4,5-Trichlorobenzotrifluoride50594-82-61,2,3-Trichloro-5-(trifluoromethyl)benzeneEINECS 256-636-6DTXSID00198633EC 256-636-6RefChem:410839DTXCID60121124256-636-6C7H2Cl3F3Benzene, 1,2,3-trichloro-5-(trifluoromethyl)-MFCD00035985

이름 더 보기

3,4,5-TrichlorobenzoTrichlorobenzotrifluoride3,4,5-TRICHLOROTRIFLUORIDE3,4,5-Trichlorobenzotrifluoride98%3,4,5-Trichlorobenzotrifluoride 98%3,4,5-Trichlorobenzotrifluoride,97%3,4,5-Trichlorotrifluoromethylbenzene3,4,5-Trichloro-1-trifluoromethylbenzene3,4,5- threechloro threefluorine toluene

3,4,5-TRICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENESCHEMBL981089CK23813,4,5-Trichloro-trifluoromethylbenzene3,4,5-trichloro trifluoromethyl benzeneAC-11802AS-126231-trifluoromethyl-3,4,5-trichlorobenzene

데이터베이스 식별자

CAS: 50594-82-6
PubChem CID: 2733399
DTXSID: DTXSID00198633
UNII: 88UV3JQC3W
EC Number: 256-636-6
Nikkaji: J261.546K

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 170

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

녹는점: -10 · -10--8 °C
끓는 점: 200 · 200-202 °C(lit.)
밀도: 1.6 g/mL · 1.6 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.6 · 1.600
BRN: 2212413 · 2212413
InChI: InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey: FBKFIAIRSQOXJR-UHFFFAOYSA-N
SMILES: C1(Cl)=CC(C(F)(F)F)=CC(Cl)=C1Cl

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.