5-Bromo-2-iodotoluene

HCID 2724601

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 116632-39-4
표준 SMILES: Cc1cc(Br)ccc1I
InChIKey: GHTUADBHTFHMNI-UHFFFAOYSA-N
분자식: C7H6BrI
평균 분자량: 296.93 g/mol
단동위원소 질량: 295.86976029

이름 및 식별자

우선 이름: 5-Bromo-2-iodotoluene
IUPAC: 4-bromo-1-iodo-2-methylbenzene
영어명: 5-Bromo-2-iodotoluene
분자식: C7H6BrI
분자량: 296.93

이름 및 동의어

5-Bromo-2-iodotoluene116632-39-4DTXSID60369180RefChem:301681DTXCID60320216629-570-44-bromo-1-iodo-2-methylbenzeneBenzene, 4-bromo-1-iodo-2-methyl-1-bromo-4-iodo-5-methylbenzeneMFCD000606644-Bromo-2-methyliodobenzene4-bromo-2-methyl-iodobenzene

이름 더 보기

Bromoiodotoluene5-Bromo-2-iodotoL2-Iodine-5-bromotoluene5-Bromo-2-iodotoluene 98%5-Bromo-2-iodotoluene >5-BROMO-2-IODOTOLUENE, 98+%

SCHEMBL332319AKOS005258093Z12692312205-Bromo-2-Iodomethylbenzene2-iodo-5-bromo-toluene5-bromo-2-iodo toluene5-bromo-2-iodo-1-met5-Bromo-2-iodotoluene, 98%

데이터베이스 식별자

CAS: 116632-39-4
PubChem CID: 2724601
DTXSID: DTXSID60369180
EC Number: 629-570-4
Nikkaji: J2.638.934H

물성

구조 계산 물성

XLogP: 3.6
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

물리화학적 성질

끓는 점: 263 °C · 263 °C (lit.)
밀도: 2.08 g/mL · 2.08 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.65(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green
Specific Gravity: 2.08 · 2.08
BRN: 2325157 · 2325157
InChI: InChI=1S/C7H6BrI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: GHTUADBHTFHMNI-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(Br)C=C1C

화학적 성질

clear slightly yellow to light red-pink liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.9%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.9%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도5-Bromo-2-iodotoluene is used as a medical intermediate and in organic synthesis.

일반 설명5-Bromo-2-iodotoluene is a halogenated hydrocarbon. It undergoes chemoselective Suzuki reaction with phenylboronic acid to yield the corresponding carboxylic acid.