3-ブロモカルバゾール

3-Bromocarbazole

HCID 252446

基本情報

CAS
1592-95-6
標準SMILES
Brc1ccc2[nH]c3ccccc3c2c1
InChIKey
LTBWKAYPXIIVPC-UHFFFAOYSA-N
分子式
C12H8BrN
平均分子量
246.1 g/mol
単同位体質量
244.98401136

名称と識別子

優先名称
3-Bromocarbazole
IUPAC
3-bromo-9H-carbazole
現地名
3-ブロモカルバゾール
英語名
3-Bromo-9H-carbazole
分子式
C12H8BrN
分子量
246.1

名称と別名

3-BromocarbazoleRefChem:932273-bromo-9H-carbazole1592-95-69H-carbazole, 3-bromo-MFCD00222621NSC 743893-BROMO-9H-CARBAZOLE;2-bromo-9H-carbazole;3-BROMOCARBAZOLENSC743893Bromo-9H-carbazoleMaybridge1_0043119H-?Carbazole, 3-?bromo-
名称をさらに表示
3-ブロモ-9H-カルバゾール3-ブロモカルバゾール3‐ブロモ‐9H‐カルバゾール2-bromo-9H-carbazole3-broMidecarbazoleCarbazole, 3-bromo-3- broMinecarbazole3-Bromo-9H-carbazoL3-Bromocarbazole >3-BROMO-9H-CARBAZOLE3-BroMocarbazole (3BC)
SCHEMBL262450orb29400523-Bromocarbazole, 97% (GC)CHEMBL5088566SCHEMBL30388549HMS553L23DTXSID00936072CCG-15092

データベース識別子

CAS
1592-95-6
PubChem CID
252446
DTXSID
DTXSID00936072
ChEMBL
CHEMBL5088566
EC Number
679-545-7
Nikkaji
J848.336A

物性

構造計算による物性

XLogP
4.4
極性表面積
15.8 Ų
水素結合供与体数
1
水素結合受容体数
0
回転可能結合数
0
重原子数
14

物理化学的性質

融点
195 °C · 195 °C
沸点
160 ℃/6mm · 160℃/6mm
比重(密度)
1.617 · 1.617±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka)
16.43 · 16.43±0.30(Predicted)
外見
個体

化学的性質

化学的特性White to light yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)

安全データ

wgk
3
hs_code
29339900
risk_code
36/37/38-22
hazard_code
Xi,Xn
hazard_note
Irritant
safety_code
26-37/39-24/25

化学と産業

応用分野

使用3-Bromocarbazole is used as a intermediate for organic light-emitting diode(OLED) and pharmaceutical.

調製方法 · 1 件

製造方法3-Bromocarbazole synthesis: A solution of N-bromosuccinimide (1.1g, 5.98mmol) in dimethylformamide was added dropwise to a solution of carbazole (1, 1g, 5.96mmol) in dimethylformamide (15mL) at 0°C. The reaction mixture was then stirred at room temperature for 24h. The reaction was poured into distilled water to give a cream coloured precipitate. The precipitate was filtered off under vacuum and washed with distilled water (3 × 20mL). The precipitate was dissolved in ethyl acetate, dried with sodium sulfate and filtered. Upon concentration under reduced pressure the crude product was obtained as a brown solid. After crystallisation of the crude product with chloroform, the pure 3-Bromo-9H-carbazole(692 mg, 47%) was obtained as white crystals. Rf (ethyl acetate/hexane, 1:6 v/v): 0.43; melting point: 200–201°C.

サプライヤー100 社

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]
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T&W GROUP021-61551611 13296011611 · [email protected]

関連反応

74 件

化合物ノート

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