4,7-디브로모-2,1,3-벤조티아디아졸

4,7-Dibromo-2,1,3-benzothiadiazole

HCID 626361CAS 15155-41-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Brc1ccc(Br)c2nsnc12
InChIKey: FEOWHLLJXAECMU-UHFFFAOYSA-N
분자식: C6H2Br2N2S
평균 분자량: 293.97 g/mol
단동위원소 질량: 291.83054326

개요

structure in first source

이름 및 식별자

우선 이름: 4,7-Dibromo-2,1,3-benzothiadiazole
IUPAC: 4,7-dibromo-2,1,3-benzothiadiazole
현지명: 4,7-디브로모-2,1,3-벤조티아디아졸
영어명: 4,7-Dibromo-2,1,3-benzothiadiazole
분자식: C6H2Br2N2S
분자량: 293.97

이름 및 동의어

4,7-Dibromo-2,1,3-benzothiadiazole15155-41-6DTXSID20347828RefChem:96717DTXCID00298900629-084-24,7-dibromobenzo[c][1,2,5]thiadiazole4,7-Dibromobenzo[c]-1,2,5-thiadiazole4,7-DIBROMO-2,1,3-BENZOTHIDIAZOLE2,1,3-Benzothiadiazole, 4,7-dibromo-MFCD00658844C6H2Br2N2S

이름 더 보기

4,7-디브로모-2,1,3-벤조티아디아졸DBBTAK0092BT-2Br4',7-Dimethoxyisoflavone4,7-Dibromo-1,2,3-benzothiadia4,7-Dibromo-benzo[1,2,5]thiadiazol

4,7-Dibromobenzo-2,1,3-thiadiazoleDibromo BTDSCHEMBL246997orb2939940SCHEMBL10001280STK895506TYD-006404,7-dibromobenzo[1,2,5]thiadiazole

데이터베이스 식별자

CAS: 15155-41-6
PubChem CID: 626361
DTXSID: DTXSID20347828
EC Number: 629-084-2
Nikkaji: J983.756F

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 142

물리화학적 성질

녹는점: 186 · 186-190 °C
끓는 점: 326.6 · 326.6±22.0 °C(Predicted)
밀도: 2.229 · 2.229±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 톨루엔에 용해됩니다.
물리적 상태: 결정성 분말
산도 계수 (pKa): -3.37 · -3.37±0.50(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKey: FEOWHLLJXAECMU-UHFFFAOYSA-N
SMILES: N1=C2C(Br)=CC=C(Br)C2=NS1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29349990
risk_code: 22
hazard_code: Xn,Xi
safety_code: 36/37
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

화학 및 산업

응용 분야 · 2건

개요4,7-Dibromo-2,1,3-benzothiadiazole is a white to Light yellow to Light orange crystalline powder and needs to be stored in an inert gas. As an organic intermediate, it is widely used in organic synthesis and pharmaceutical production

용도4,7-Dibromo-2,1,3-benzothiadiazole is the building block or monomer for the synthesis of light-emitting diodes and conducting polymers for organic electronics. It is used as an intermediate for the synthesis of poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) and poly[2,1,3-benzothiadiazole-4,7-diyl[4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene-2,6-diyl]] (PCPDTBT).

상·하류 제품 정보

상류 원료

하류 제품

2,1,3-Benzothiadiazole-4,7-dicarbonitrile 4,7-Bis(5-broMo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole 7-브로모벤조[c][1,2,5]티아디아졸-4-카보니트릴 5,8-디브로모퀴녹살린 4,7-di(pyridin-4-yl)benzothiadiazole 2,1,3-Benzothiadiazole-4,7-diboronic acid 4,7-Dibromo-2-methyl-2H-benzotriazole

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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