1-(Chloromethyl)-2-(trifluoromethyl)benzene

HCID 89028CAS 21742-00-7

기본 정보

표준 SMILES: FC(F)(F)c1ccccc1CCl
InChIKey: BBXDMCQDLOCXRA-UHFFFAOYSA-N
분자식: C8H6ClF3
평균 분자량: 194.58 g/mol
단동위원소 질량: 194.01101253

이름 및 식별자

우선 이름: 1-(Chloromethyl)-2-(trifluoromethyl)benzene
IUPAC: 1-(chloromethyl)-2-(trifluoromethyl)benzene
영어명: 2-(Trifluoromethyl)benzyl chloride
분자식: C8H6ClF3
분자량: 194.58

이름 및 동의어

21742-00-71-(Chloromethyl)-2-(trifluoromethyl)benzene2-trifluoromethylbenzyl chlorideEINECS 244-560-6DTXSID20176135RefChem:427463DTXCID1098626244-560-62-(Trifluoromethyl)benzyl chlorideBenzene, 1-(chloromethyl)-2-(trifluoromethyl)-MFCD00009920o-trifluoromethylbenzyl chloride

이름 더 보기

TIMTEC-BB SBB006695α'-chloro-α,α,α-trifluoro-o-xyleneà'-chloro-à,à,à-trifluoro-o-xyleneo-(Trifluoromethyl)Benzyl Chlorideo-Xylene, a'-chloro-a,a,a-trifluoro-2-(Trifluoromethyl)benzylchloride97%2-(Trifluoromethyl)benzyl chloride 97%2-(Trifluoromethyl)benzyl chloride, 98+%

2-(trifluoromethyl)benzylchlorideHQG6P6N5XD2-trifluoromethylbenzylchlorideSCHEMBL121915SCHEMBL52866072-(Chloromethyl)benzotrifluorideSCHEMBL27937767SCHEMBL29560223

데이터베이스 식별자

CAS: 21742-00-7
PubChem CID: 89028
DTXSID: DTXSID20176135
UNII: HQG6P6N5XD
EC Number: 244-560-6
Nikkaji: J225.428J

물성

구조 계산 물성

XLogP: 3.2
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: 144

물리화학적 성질

끓는 점: 67 · 67-68°C 12mm
밀도: 1.337 g/mL · 1.337 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.469(lit.)
인화점: 158 °F · 158 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.337 · 1.337
BRN: 389380 · 389380
InChI: 1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey: BBXDMCQDLOCXRA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccccc1CCl

화학적 성질

2-(Trifluoromethyl)benzyl chloride is CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.