4-트리플루오로메틸벤질클로라이드

p-Trifluoromethylbenzyl chloride

HCID 123096CAS 939-99-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1ccc(CCl)cc1
InChIKey: MCHDHQVROPEJJT-UHFFFAOYSA-N
분자식: C8H6ClF3
평균 분자량: 194.58 g/mol
단동위원소 질량: 194.01101253

이름 및 식별자

우선 이름: p-Trifluoromethylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-(trifluoromethyl)benzene
현지명: 4-트리플루오로메틸벤질클로라이드
영어명: 4-Trifluoromethylbenzyl chloride
분자식: C8H6ClF3
분자량: 194.58

이름 및 동의어

939-99-14-(Trifluoromethyl)benzyl chloridep-Trifluoromethylbenzyl chlorideCCRIS 5110DTXSID20239870RefChem:858258DTXCID70162361627-519-04-Trifluoromethylbenzyl chloride1-(chloromethyl)-4-(trifluoromethyl)benzeneMFCD00040772Benzene, 1-(chloromethyl)-4-(trifluoromethyl)-

이름 더 보기

4-트리플루오로메틸벤질클로라이드TIMTEC-BB SBB0066964-Trifluoromethylben4-Trifluormethylbenzyl chloride4-(Chloromethyl)benzotrifluorideα'-chloro-α,α,α-trifluoro-p-xyleneà'-chloro-à,à,à-trifluoro-p-xyleneP-(TRIFLUOROMETHYL)BENZYL CHLORIDEa'-Chloro-a,a,a-trifluoro- p-xylene

SCHEMBL543043SCHEMBL6769314-trifluoromethyl benzylchloride4-trifluoromethyl benzyl chloride4-trifluoromethyl-benzyl chlorideALBB-006036A'-chloro-A,A,A-trifluoro-p-xyleneSBB006696

데이터베이스 식별자

CAS: 939-99-1
PubChem CID: 123096
DTXSID: DTXSID20239870
EC Number: 627-519-0
Nikkaji: J474.240K

물성

구조 계산 물성

XLogP: 3.4
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: 136

물리화학적 성질

녹는점: 19 °C · 19 °C
끓는 점: 68 °C12 · 68 °C12 mm Hg(lit.)
밀도: 1.315 g/mL · 1.315 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.464(lit.)
인화점: 165 °F · 165 °F
저장 조건: Refrigerator
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 511085 · 511085
InChI: 1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKey: MCHDHQVROPEJJT-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CCl)cc1

화학적 성질

Colorless to light yellow liqui

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29039990
risk_code: 34-36/37
hazard_code: C
safety_code: 23-26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-(Trifluoromethyl)benzyl chloride may be used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids.

일반 설명Electrochemical reduction of 4-(trifluoromethyl)benzyl chloride catalyzed by Co(salen) (H2salen, N,N′-bis(salicylidene)-ethane-1,2-diamine) in acetonitrile is reported.