1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene

HCID 123576CAS 75462-59-8

기본 정보

표준 SMILES: FC(F)(F)c1cc(CCl)cc(C(F)(F)F)c1
InChIKey: OINTXXMBRBLMHH-UHFFFAOYSA-N
분자식: C9H5ClF6
평균 분자량: 262.58 g/mol
단동위원소 질량: 261.99839716

이름 및 식별자

우선 이름: 1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
영어명: 3,5-Bis(trifluoromethyl)benzyl chloride
분자식: C9H5ClF6
분자량: 262.58

이름 및 동의어

3,5-Bis(trifluoromethyl)benzyl chloride75462-59-81-(Chloromethyl)-3,5-bis(trifluoromethyl)benzeneEINECS 278-216-1DTXSID90226393RefChem:427473DTXCID90148884278-216-1MFCD00009906Benzene, 1-(chloromethyl)-3,5-bis(trifluoromethyl)-1-chloromethyl-3,5-bis(trifluoromethyl)benzene3,5-di(Trifluoromethyl)benzyl chloride

이름 더 보기

3,5-Bis(trifluoromethyl)benzyl choride3,5-Bis(trifluoromethyl)benzylchloride99%3,5-Bis(trifluoromethyl)benzyl Chloride >3,5-Bis(trifluoromethyl)benzyl chloride 99%3,5-Bis(trifluoromethyl)-1-(chloromethyl)benzene3,5-Bis(trifluoromethyl)benzyl chloride ISO 9001：2015 REACH

3,5-bis-(trifluoromethyl)benzyl chloride1,3-bis(trifluoromethyl)-5-(chloromethyl)benzene3,5-bis(trifluoromethyl)benzylchlorideSAX6LG73CSSCHEMBL1409383,5-bistrifluoromethylbenzyl chlorideCK2007SBB102592

데이터베이스 식별자

CAS: 75462-59-8
PubChem CID: 123576
DTXSID: DTXSID90226393
UNII: SAX6LG73CS
EC Number: 278-216-1
Nikkaji: J267.438F

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 29 · 29-32 °C(lit.)
끓는 점: 46 °C · 46°C 3mm
밀도: 1.4425 · 1.4425 (estimate)
인화점: 161 °F · 161 °F
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: powder to lump
색상: 흰색에서 거의 흰색
수용성: 물에 약간 용해됩니다.
BRN: 656502 · 656502
InChI: InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChIKey: OINTXXMBRBLMHH-UHFFFAOYSA-N
SMILES: C(Cl)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
NIST: 3 · 3,5-Bis(trifluoromethyl)benzyl chloride(75462-59-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29039990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도3,5-Bis(trifluoromethyl)benzyl chloride has been used in the preparation of 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene. 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene, in 94% yield by an efficient nucleophilic substitution reaction between 3,5-bis-(trifluoromethyl)benzyl chloride, 4, and sodium azide.