2-Bromo-1-iodo-4-(trifluoromethyl)benzene

HCID 16244089CAS 481075-58-5

기본 정보

표준 SMILES: FC(F)(F)c1ccc(I)c(Br)c1
InChIKey: LFHYCNXVEWPYAB-UHFFFAOYSA-N
분자식: C7H3BrF3I
평균 분자량: 350.9 g/mol
단동위원소 질량: 349.84149486

이름 및 식별자

우선 이름: 2-Bromo-1-iodo-4-(trifluoromethyl)benzene
IUPAC: 2-bromo-1-iodo-4-(trifluoromethyl)benzene
영어명: 2-Bromo-1-iodo-4-trifluoromethyl-benzene
분자식: C7H3BrF3I
분자량: 350.9

이름 및 동의어

2-bromo-1-iodo-4-(trifluoromethyl)benzene481075-58-5DTXSID30585638RefChem:256911DTXCID30536403674-750-83-Bromo-4-iodobenzotrifluoride2-bromo-1-iodo-4-trifluoromethyl-benzeneMFCD08543938Benzene, 2-bromo-1-iodo-4-(trifluoromethyl)-SCHEMBL3544291AS-19869

이름 더 보기

3-bromo-4-iodo-trifluoromethylbenzene2-Bromo-4-(trifluoromethyl)iodobenzene2-Bromo-1-iodo-4-(trifluoromethyl)benzene, 3-Bromo-4-iodo-alpha,alpha,alpha-trifluorotoluene

SY0290183-bromo-4-iodo-benzotrifluorideSCHEMBL30116692AKOS015967458CS-0094801EN300-862642-bromanyl-1-iodanyl-4-(trifluoromethyl)benzeneF034778

데이터베이스 식별자

CAS: 481075-58-5
PubChem CID: 16244089
DTXSID: DTXSID30585638
EC Number: 674-750-8
Nikkaji: J1.780.447B

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

녹는점: 36 · 36-38.5℃ (ethanol )
끓는 점: 236.9 · 236.9±40.0℃ (760 Torr)
밀도: 2.176 · 2.176±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 97.1 · 97.1±27.3℃
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 융합된 고체
색상: Peach/faint orange

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.