3-(Trifluoromethyl)benzyl chloride

HCID 69716CAS 705-29-3

기본 정보

표준 SMILES: FC(F)(F)c1cccc(CCl)c1
InChIKey: XGASTRVQNVVYIZ-UHFFFAOYSA-N
분자식: C8H6ClF3
평균 분자량: 194.58 g/mol
단동위원소 질량: 194.0110124

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzyl chloride
IUPAC: 1-(chloromethyl)-3-(trifluoromethyl)benzene
영어명: 3-Chloromethyl-benzotrifluoride
분자식: C8H6ClF3
분자량: 194.58

이름 및 동의어

705-29-31-(Chloromethyl)-3-(trifluoromethyl)benzene3-(Trifluoromethyl)benzyl chloride3-Trifluoromethylbenzyl chlorideBenzene, 1-(chloromethyl)-3-(trifluoromethyl)-m-Trifluoromethylbenzyl chlorideDTXSID0061036RefChem:95495DTXCID00466963-(Chloromethyl)benzotrifluoride3-Chloromethyl-benzotrifluorideMFCD00000908

이름 더 보기

AKOS BBS-00004037α'-chloro-α,α,α-trifluoro-m-xyleneà'-chloro-à,à,à-trifluoro-m-xyleneMETA-TRIFLUOROMETHYLBENZYLCHLORIDE3-(Trifluoromethyl)benzylchloride98%Alpha-Chloro-Alpha',Alpha',Alpha'-Tr

NSC 5227alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene3-ChloromethylbenzotrifluorideNSC-5227.alpha.-Chloro-3-trifluoromethyltoluene3-(chloromethyl)-1-(trifluoromethyl)benzene.alpha.'-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-xylene3-trifluoromethylbenzylchloride

데이터베이스 식별자

CAS: 705-29-3
PubChem CID: 69716
DTXSID: DTXSID0061036
UNII: XG8S4F46BH
EC Number: 211-884-4
Nikkaji: J92B

물성

구조 계산 물성

XLogP: 3.5
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

녹는점: 32 · 32-36 °C
끓는 점: 180 · 180-182 °C
밀도: 1.254 g/mL · 1.254 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.464(lit.)
인화점: 120 °F · 120 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.254 · 1.254
BRN: 743242 · 743242
InChI: 1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey: XGASTRVQNVVYIZ-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cccc(CCl)c1
NIST: 1 · Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-(705-29-3)
EPA: 1 · Benzene, 1-(chloromethyl)-3-(trifluoromethyl)- (705-29-3)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
HS 번호: 29036990
risk_code: 10-34
hazard_code: C
safety_code: 16-26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도3-(Trifluoromethyl)benzyl chloride was used in the synthesis of 4-nitro-3-trifluoromethyl-[N-(4-hydroxyphenyl)]benzamide.

일반 설명3-(Trifluoromethyl)benzyl chloride reacts with sodium salts of N,N-disubstituted dithiocarbamic acids to yield series of dithiocarbamates.

상·하류 제품 정보

하류 제품

공급사50 곳

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