2,4,4,6-테트라브로모-2,5-사이클로헥사디에논

2,4,4,6-Tetrabromocyclohexa-2,5-dienone

HCID 88433CAS 20244-61-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1C(Br)=CC(Br)(Br)C=C1Br
InChIKey: NJQJGRGGIUNVAB-UHFFFAOYSA-N
분자식: C6H2Br4O
평균 분자량: 409.69 g/mol
단동위원소 질량: 405.68391308

이름 및 식별자

우선 이름: 2,4,4,6-Tetrabromocyclohexa-2,5-dienone
IUPAC: 2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one
현지명: 2,4,4,6-테트라브로모-2,5-사이클로헥사디에논
영어명: 2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE
분자식: C6H2Br4O
분자량: 409.7

이름 및 동의어

20244-61-52,4,4,6-Tetrabromo-2,5-cyclohexadienone2,4,4,6-Tetrabromocyclohexa-2,5-dienone2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-2,4,4,6-tetrabromo-2,5-cyclohexadien-1-oneYKX5FJE3UTEINECS 243-638-7NSC-176338DTXSID10174089NSC 176338RefChem:81978DTXCID8096580

이름 더 보기

2,4,4,6-테트라브로모-2,5-사이클로헥사디에논TBCO2,2,4,4-Tetrabromo-2,5-Cyclohexadienone2,4,4,6-Tetrabromo-2,5-cyclohexadienone 90%2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one95%2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE, 90+%

243-638-72,4,4,6-tetrabromocyclohexa-2,5-dien-1-oneC6H2Br4OMFCD00001589SCHEMBL2649s120132,4,4,6-tetrabromo-2,5-cyclohexadiene-1-one2,4,4,6-Tetrabromo-2,5-cyclohexadienone, 90%

데이터베이스 식별자

CAS: 20244-61-5
PubChem CID: 88433
DTXSID: DTXSID10174089
UNII: YKX5FJE3UT
EC Number: 243-638-7
Nikkaji: J209.057K

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 240

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

물리화학적 성질

녹는점: 120 · 120-127 °C
끓는 점: 365.8 · 365.8±42.0 °C(Predicted)
밀도: 2.6462 · 2.6462 (rough estimate)
굴절률: 1.5 · 1.5000 (estimate)
저장 조건: 2 · 2-8°C
용해도: 2 Cl2, · sol CH2Cl2, Et2O, CHCl3, MeNO2, MeOH
물리적 상태: 액체
색상: 무색의
수용성: 물에 불용성.
BRN: 2048028 · 2048028
InChI: 1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChIKey: NJQJGRGGIUNVAB-UHFFFAOYSA-N
SMILES: BrC1=CC(Br)(Br)C=C(Br)C1=O

화학적 성질

orange to brown fine crystalline powder

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,4,4,6-Tetrabromo-2,5-cyclohexadienone was used as catalyst for efficient deoxygenation of sulfoxides to their corresponding sulfides with 1,3-dithiane. It was also used as reagent for conversion of alcohols to azides.

일반 설명2,4,4,6-Tetrabromo-2,5-cyclohexadienone forms solid charge-transfer molecular complexes with 4-(aminomethyl)piperidine and their spectroscopic characteristics were studied.

제조 방법

bromination of 2,4,6-tribromophenol with Bromine in acetic acid in the presence of sodium acetate.

상·하류 제품 정보

상류 원료

2,6-Dibromo-4-bromomethyl-phenol 2,5-Cyclohexadien-1-one, 2,4,6-tribromo-4-methyl-2,4-DIBROMO-6-(하이드록시메틸)페놀 3,5-디브로모-4-하이드록시벤질알코올 2,6-Dibromo-4-methylphenol 2,4,6-트리브로모페놀 페놀 4-하이드록시벤조 산(2-히드록시벤질알콜 4-브로모페놀 P-크레졸

하류 제품

4-Bromo-2-nitroaniline 2-Amino-6-methylpyridine 2,4,6-트리브로모아니졸

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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