3,6-Dibromocarbazole

HCID 274874CAS 6825-20-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Brc1ccc2[nH]c3ccc(Br)cc3c2c1
InChIKey: FIHILUSWISKVSR-UHFFFAOYSA-N
분자식: C12H7Br2N
평균 분자량: 325 g/mol
단동위원소 질량: 322.89452342

개요

3,6-Dibromocarbazole is a member of biphenyls and a member of bromobenzenes.

이름 및 식별자

우선 이름: 3,6-Dibromocarbazole
IUPAC: 3,6-dibromo-9H-carbazole
영어명: 3,6-Dibromocarbazole
분자식: C12H7Br2N
분자량: 325

이름 및 동의어

3,6-Dibromocarbazole3,6-Dibromo-9H-carbazoleDTXSID60298163RefChem:487507DTXCID90249300629-373-36825-20-39H-Carbazole, 3,6-dibromo-MFCD000049613,6-dibromo-carbazoleSCHEMBL38602AKOS003653993

이름 더 보기

DibroMocarbazole3,6-DIBROMOCARBAZOLE, TECH., 90%M8250PDS5203-17123,6-Dibromocarbamole3,6-Dibromo-9H-carbazol3,6-Dibromocarbazole>9-H-3,6-Dibromocarbazole

CS-W009870HY-W009154FD14043GS-4404AC-28756SY0303039-H-3,6-Dibromocarbazoledoi:10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N.2

데이터베이스 식별자

CAS: 6825-20-3
PubChem CID: 274874
DTXSID: DTXSID60298163
ChEMBL: CHEMBL5075756
ChEBI: CHEBI:201173
EC Number: 629-373-3
Nikkaji: J81.276E

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 222

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 204 · 204-206 °C (lit.)
끓는 점: 459 · 459.0±25.0 °C(Predicted)
밀도: 1.93 · 1.930±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 벤젠, 클로로포름에 용해됨
산도 계수 (pKa): 15.47 · 15.47±0.30(Predicted)
물리적 상태: 결정성 분말
색상: 갈색을 띤 노란색
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey: FIHILUSWISKVSR-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2

화학적 성질

tan to light green 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 42 reports by companies from 5 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: 29339900
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 · 2건

용도3,6-Dibromocarbazole is used as a pharmaceutical intermediate and also an essential intermediate for synthesizing optoelectronic materials. It is the essential intermediate of synthesis of N-alkylation bromo carbazole compounds and is used to prepare N-(2-hydroxyethyl)-3,6-dibromocarbazole. The synthetic method at present has a potassium Bromide and potassium bromate hybrid system, the chloranil dehydriding of diazonium salt method, the sulfonation method, the BNS method, and the bromine bromination method.

일반 설명Lithiation of 3,6-dibromocarbazole with n-butyllithium has been studied.