1,3-DibroMo-2-(broMo메틸)벤젠

1,3-Dibromo-2-(bromomethyl)benzene

HCID 13381015

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 93701-32-7
표준 SMILES: BrCc1c(Br)cccc1Br
InChIKey: QFXJJFWSOLXOSE-UHFFFAOYSA-N
분자식: C7H5Br3
평균 분자량: 328.83 g/mol
단동위원소 질량: 325.79413646

이름 및 식별자

우선 이름: 1,3-Dibromo-2-(bromomethyl)benzene
IUPAC: 1,3-dibromo-2-(bromomethyl)benzene
현지명: 1,3-DibroMo-2-(broMo메틸)벤젠
영어명: 1,3-DibroMo-2-(broMoMethyl)benzene
분자식: C7H5Br3
분자량: 328.83

이름 및 동의어

1,3-Dibromo-2-(bromomethyl)benzene93701-32-7DTXSID70538840RefChem:72592DTXCID30489627861-447-22,6-dibromobenzyl bromideMFCD13185505Benzene, 1,3-dibromo-2-(bromomethyl)-SCHEMBL1738761,3-dibromo-2-bromomethylbenzene3-Dibromo-2-(bromomethyl)benzene

이름 더 보기

1,3-DibroMo-2-(broMo메틸)벤젠1001271,3-dibromo-2-(bromethyl)benzene

QFXJJFWSOLXOSE-UHFFFAOYSA-N1,3-Dibromo-2-bromomethyl-benzeneTDA70132AKOS015966672AB89807AS-44060SY292467DB-363083

데이터베이스 식별자

CAS: 93701-32-7
PubChem CID: 13381015
DTXSID: DTXSID70538840
EC Number: 861-447-2
Nikkaji: J2.324.183H

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

물리화학적 성질

녹는점: 80 · 80-81 °C(Solv: hexane (110-54-3))
끓는 점: 306.3 · 306.3±27.0 °C(Predicted)
밀도: 2.173 · 2.173±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesMet. Corr. 1 (50%)

안전 데이터

HS 번호: 2903999090

화학 및 산업

응용 분야

용도2,6-Dibromobenzyl Bromide is used in preparation of Indoles via tBuOK-promoted cyclization of Imines with Aryl Halides. Also, used in preparation of 1,2,3,4-Tetrahydro-1,8-naphthyridine derivatives as inhibitors of αvβ6 integrin.