3-Chloro-4-iodobenzotrifluoride

HCID 2736612CAS 141738-80-9

기본 정보

표준 SMILES: FC(F)(F)c1ccc(I)c(Cl)c1
InChIKey: ULJRBVGSKAKZKQ-UHFFFAOYSA-N
분자식: C7H3ClF3I
평균 분자량: 306.45 g/mol
단동위원소 질량: 305.89201044

이름 및 식별자

우선 이름: 3-Chloro-4-iodobenzotrifluoride
IUPAC: 2-chloro-1-iodo-4-(trifluoromethyl)benzene
영어명: 3-Chloro-4-iodobenzotrifluoride
분자식: C7H3ClF3I
분자량: 306.45

이름 및 동의어

3-Chloro-4-iodobenzotrifluoride141738-80-9DTXSID30371477RefChem:278314DTXCID40322511624-037-22-chloro-1-iodo-4-(trifluoromethyl)benzeneBenzene, 2-chloro-1-iodo-4-(trifluoromethyl)-MFCD000425622-chloro-4-(trifluoromethyl)iodobenzene3-chloro-4-iodobenzotrifluoride (stabilized with copper chip)buttpark 9857-21

이름 더 보기

2-ChlorBUTTPARK 98\57-213-chloro-4-iodo-trifluoromethylbenzene

3-chloro-4-iodobenzotrifluoride97%3-chloro-4-iodobenzotrifluoride 97%SCHEMBL81273SCHEMBL19471036SCHEMBL316151532-chloro-4-trifluoromethyliodobenzeneAKOS0091581913-Chloro-4-iodobenzotrifluoride, 97%

데이터베이스 식별자

CAS: 141738-80-9
PubChem CID: 2736612
DTXSID: DTXSID30371477
EC Number: 624-037-2

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 58 · 58-60°C 0,2mm
밀도: 1.9802 g/mL · 1.9802 g/mL at 25 °C
굴절률: 20 · n20/D 1.534
인화점: 58 · 58-60°C/0.2mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
색상: 투명한
InChI: InChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKey: ULJRBVGSKAKZKQ-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(C(F)(F)F)C=C1Cl

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.