4-클로로-2-(트리플루오로메틸)벤질브로마이드

4-Chloro-2-(trifluoromethyl)benzyl bromide

HCID 3492597CAS 886496-75-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1cc(Cl)ccc1CBr
InChIKey: LFFCKOROEHFKQA-UHFFFAOYSA-N
분자식: C8H5BrClF3
평균 분자량: 273.48 g/mol
단동위원소 질량: 271.92152

이름 및 식별자

우선 이름: 4-Chloro-2-(trifluoromethyl)benzyl bromide
IUPAC: 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene
현지명: 4-클로로-2-(트리플루오로메틸)벤질브로마이드
영어명: 4-Chloro-2-(trifluoromethyl)benzyl bromide
분자식: C8H5BrClF3
분자량: 273.48

이름 및 동의어

886496-75-94-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDEDTXSID80392995RefChem:291473DTXCID303438561-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzeneMFCD04115840Benzene, 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)-1-bromomethyl-4-chloro-2-trifluoromethyl-benzene4-chloro-2-(trifloromethyl)benzylbromideSCHEMBL119225CL9708

이름 더 보기

4-클로로-2-(트리플루오로메틸)벤질브로마이드

AS-46463EN300-19301894-chloro-2-(triflorFT-0729376SCHEMBL29465609AKOS015956010SY228319DB-092754

데이터베이스 식별자

CAS: 886496-75-9
PubChem CID: 3492597
DTXSID: DTXSID80392995
EC Number: 679-328-7

물성

구조 계산 물성

XLogP: 4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

끓는 점: 214 · 214.0±35.0 °C(Predicted)
밀도: 1.663 · 1.663±0.06 g/cm3(Predicted)
굴절률: 1.52 · 1.5200
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 혼합하기가 어렵습니다.
물리적 상태: solid
InChI: 1S/C8H5BrClF3/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
InChIKey: LFFCKOROEHFKQA-UHFFFAOYSA-N
SMILES: ClC1=CC(C(F)(F)F)=C(CBr)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Corr. 1B (100%)；STOT SE 3 (20%)

안전 데이터

ridadr: UN3265
HS 번호: 2909309090
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-2-(trifluoromethyl)benzyl bromide is used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids