기본 정보
- CAS
16807-11-7- 표준 SMILES
Brc1cccc2c1[nH]c1ccccc12- InChIKey
VCDOOGZTWDOHEB-UHFFFAOYSA-N- 분자식
- C12H8BrN
- 평균 분자량
- 246.1 g/mol
이름 및 식별자
- 우선 이름
- 1-Bromo-9H-carbazole
- IUPAC
- 1-bromo-9H-carbazole
- 현지명
- 1- 브로 모 -9H- 카바 졸
- 영어명
- 1-Bromo-9H-carbazole
- 분자식
- C12H8BrN
- 분자량
- 246.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
16807-11-7- PubChem CID
- 11230335
- ChEMBL
CHEMBL5085077- EC Number
- 810-961-5
- Nikkaji
- J1.715.549K
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 15.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 218
물리화학적 성질
- 녹는점
- 123 · 123-124℃ (acetic acid )
- 끓는 점
- 409.2 · 409.2±18.0 °C(Predicted)
- 밀도
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 16.14 · 16.14±0.30(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- InChI=1S/C12H8BrN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14H
- InChIKey
- VCDOOGZTWDOHEB-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1C(Br)=CC=C2
화학적 성질
White to yellow powder or crystals.
안전 및 규제
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
용도1-Bromo-9H-carbazole is a useful research chemical, mainly used as a pharmaceutical intermediate and an intermediate in organic synthesis.
제조 방법
A 1-Bromo-9H-carbazole is synthesized as follows:Under noble gas protection, by 3,6- bis- Tert-butyl carbazole is dissolved in 1,2- dichloroethanes, adds hydrobromic acid, controlling reaction temperature to be slowly added dropwise hydrogen peroxide, dropping is completely Overnight, reactant liquor is washed, and separates organic layer for natural temperature reaction, is dried, and adds methyl alcohol dispersion, obtains the tertiary fourth of bromo- 3, the 6- of 1- bis- Base carbazole;Then 1- bromo- 3,6- di-t-butyl carbazole and isopropanol solvent are added in reaction bulb, controlling reaction temperature slowly adds Enter alchlor reaction, add water after terminating terminating reaction, through extraction, organic layer sodium hydrate aqueous solution is washed, and is dried overnight, concentrate Obtain crude product, methylene chloride-methanol mixed solvent is recrystallized to give product 1-Bromo-9H-carbazole.Production method of 1-bromocarbazole
공급사100 곳
추가 설명
정의1-Bromo-9H-carbazole is a bromide-substitution of carbazole. The carbazole ring system is essentially planar (r.m.s. deviation of 0.024 for the non-H atoms). It is a photoelectric material intermediate and be used to synthesize OLED materials.
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