2-브로모-5-클로로톨루엔

2-Bromo-5-chlorotoluene

HCID 84476CAS 14495-51-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(Cl)ccc1Br
InChIKey: RTIPTGMVQIIMKL-UHFFFAOYSA-N
분자식: C7H6BrCl
평균 분자량: 205.48 g/mol
단동위원소 질량: 203.93413997

이름 및 식별자

우선 이름: 2-Bromo-5-chlorotoluene
IUPAC: 1-bromo-4-chloro-2-methylbenzene
현지명: 2-브로모-5-클로로톨루엔
영어명: 1-Bromo-4-chloro-2-methylbenzene
분자식: C7H6BrCl
분자량: 205.48

이름 및 동의어

2-Bromo-5-chlorotoluene14495-51-31-Bromo-4-chloro-2-methylbenzeneEINECS 238-503-4DTXSID90162848RefChem:466790DTXCID4085339238-503-4InChI=1/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1HBenzene, 1-bromo-4-chloro-2-methyl-MFCD00000602Toluene, 2-bromo-5-chloro-

이름 더 보기

2-브로모-5-클로로톨루엔2-Bromo-5-chL1-Bromo-4-chloro-2-mBromo-5-chlorotoluene5-CHLORO-2-BROMOTOLUENE2-Bromo-5-Chlorotolune98%2-Bromo-5-chlorotoluene,98%2-Bromo-5-chlorotoluene >

1-Bromo-4-chloro-2-methyl-benzene2-bromo-5-chloro-toluene1-Bromo-4-chloro-2-methylbenzene #AKOS015842238CS-W015363EN300-80697F112116-Bromo-3-chlorotoluene

데이터베이스 식별자

CAS: 14495-51-3
PubChem CID: 84476
DTXSID: DTXSID90162848
UNII: SKU92X9K9G
EC Number: 238-503-4
Nikkaji: J149.791J

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

끓는 점: 98 · 98-100 °C (25 mmHg)
밀도: 1.543 g/mL · 1.543 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.575(lit.)
인화점: 204 °F · 204 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 불용성
BRN: 2500157 · 2500157
InChI: InChI=1S/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey: RTIPTGMVQIIMKL-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(Cl)C=C1C
NIST: 1 · Benzene, 1-bromo-4-chloro-2-methyl-(14495-51-3)

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY ORANGE LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.