기본 정보
- CAS
29096-93-3- 표준 SMILES
CC1=C(Br)C(=O)C(C(C)C)=C(Br)C1=O- InChIKey
GHHZELQYJPWSMG-UHFFFAOYSA-N- 분자식
- C10H10Br2O2
- 평균 분자량
- 321.99 g/mol
- 단동위원소 질량
- 319.90475
개요
Dibromothymoquinone is a member of 1,4-benzoquinones. It has a role as a cytochrome-b6f complex inhibitor.
이름 및 식별자
- 우선 이름
- Dibromothymoquinone
- IUPAC
- 2,5-dibromo-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione
- 현지명
- 2,5-디브로모-3-이소프로필-6-메틸벤조퀴논
- 영어명
- 2,5-Dibromo-3-isopropyl-6-methylbenzoquinone
- 분자식
- C10H10Br2O2
- 분자량
- 321.99
이름 및 동의어
29096-93-3DIBROMOTHYMOQUINONE2,5-Dibromo-6-isopropyl-3-methyl-1,4-benzoquinone2,5-Dibromo-3-isopropyl-6-methylbenzoquinone2,5-Dibromo-3-methyl-6-isopropyl-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3-methyl-6-(1-methylethyl)-2,5-dibromo-3-isopropyl-6-methyl-1,4-benzoquinone0BY5UFN2U6CHEBI:193712,5-dibromo-3-methyl-6-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione2,5-dibromo-3-methyl-6-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
이름 더 보기
2,5-디브로모-3-이소프로필-6-메틸벤조퀴논2,5-Dibromo-3-isopropyl-6-methyl-p-benzoquinone2,5-Dibromo-3-isopropyl-6-methylcyclohexa-2,5-diene-1,4-dione
DTXSID60183343RefChem:132913DTXCID701058342,5 Dibromo 3 methyl 6 isopropyl p benzoquinone249-431-8Dbmib2,5-dibromo-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione2,5-Dibromo-3-isopropyl-6-methylbenzo-1,4-quinone
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 376
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 70 · 70-72 °C(lit.)
- 끓는 점
- 318 · 318.0±42.0 °C(Predicted)
- 밀도
- 1.8 · 1.800±0.06 g/cm3(Predicted)
- 저장 조건
- room temp
- 물리적 상태
- powder, crystals or chunks
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- 1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
- InChIKey
- GHHZELQYJPWSMG-UHFFFAOYSA-N
- SMILES
- CC(C)C1=C(Br)C(=O)C(C)=C(Br)C1=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 38 reports by companies from 1 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2,5-Dibromo-6-isopropyl-3-methyl-1,4-benzoquinone acts as an inhibitor of respiratory and photosynthetic processes. Dyes and metabolites.
공급사14 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Aladdin Scientific[email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
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