3-Chlorocarbazole

HCID 520302CAS 2732-25-4

基本情報

標準SMILES: Clc1ccc2[nH]c3ccccc3c2c1
InChIKey: CABSFELLEWZIAK-UHFFFAOYSA-N
分子式: C12H8ClN
平均分子量: 201.65 g/mol
単同位体質量: 201.034527

名称と識別子

優先名称: 3-Chlorocarbazole
IUPAC: 3-chloro-9H-carbazole
英語名: 3-chlorocarbazole
分子式: C12H8ClN
分子量: 201.65

名称と別名

3-Chloro-9H-carbazole3-Chlorocarbazole2732-25-49H-Carbazole, 3-chloro-DTXSID40181766W7F0832476RefChem:93509DTXCID80104257962-376-0Carbazole, 3-chloro-MFCD00222620SCHEMBL607394

名称をさらに表示

Carbazole,3-chloro- (6CI,7CI,8CI)

BS-52267CS-0328159EU-0000141E85398Q27292436Carprofen EP Impurity EUNII-W7F0832476AMY42416

データベース識別子

CAS: 2732-25-4
PubChem CID: 520302
DTXSID: DTXSID40181766
ChEMBL: CHEMBL447289
UNII: W7F0832476
EC Number: 962-376-0
Nikkaji: J848.320E

物性

構造計算による物性

XLogP: 4.3
極性表面積: 15.8 Å²
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
形式電荷: 0
複雑度: 218

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C12H8ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKey: CABSFELLEWZIAK-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C2=C1C=CC(Cl)=C2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Aquatic Chronic 4 (50%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野

使用3-Chloro-9H-carbazole is a standard for environmental testing and research. An aryl hydrocarbon receptor agonist. Substance for the characterization and biological potency of mono- to tetra-halogenated carbazoles.

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