CAS 69872-17-9 4-Bromo-1H-pyrrolo(2,3-c)pyridine (HCID 12510055)

基本情報

CAS: 69872-17-9
標準SMILES: Brc1cncc2[nH]ccc12
InChIKey: NZUWATDXQMWXMY-UHFFFAOYSA-N
分子式: C7H5BrN2
平均分子量: 197.03 g/mol
単同位体質量: 195.96361

名称と識別子

優先名称: 4-Bromo-1H-pyrrolo(2,3-c)pyridine
IUPAC: 4-bromo-1H-pyrrolo[2,3-c]pyridine
現地名: 4-ブロモ-1H-ピロロ[2,3-C]ピリジン
英語名: 4-bromo-1H-pyrrolo[2,3-c]pyridine
分子式: C7H5BrN2
分子量: 197.03

名称と別名

4-bromo-1H-pyrrolo[2,3-c]pyridine69872-17-9DTXSID605008544-Bromo-1H-pyrrolo(2,3-c)pyridineRefChem:290546DTXCID50451664867-030-14-Bromo-6-azaindoleMFCD118477681H-Pyrrolo[2,3-c]pyridine, 4-bromo-SCHEMBL529739AKOS007930881

名称をさらに表示

4-ブロモ-1H-ピロロ[2,3-C]ピリジン4-BroM-6-azaindol4-Bromo-6-azaindole 97%4-broMo-1H-pyrrolo[2,3-c]pyridin1H-PYRROLO[2,3-C]-PYRIDINE,4-BROMO-4-Bromo-1H-pyrrolo[2,3-c]pyridine (69872-17-9)

CS-W019705FS-3369PB31599AC-22993SY028295A9239AM200614544-bromo-1H-pyrrolo[23-c]pyridine

データベース識別子

CAS: 69872-17-9
PubChem CID: 12510055
DTXSID: DTXSID60500854
EC Number: 867-030-1

物性

構造計算による物性

XLogP: 1.7
極性表面積: 28.7 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 129

物理化学的性質

融点: 188 · 188-189℃
沸点: 337.6 · 337.6±22.0 °C(Predicted)
比重(密度): 1.77 · 1.770
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 13.73 · 13.73±0.40(Predicted)
外見: solid
色: White to light brown
InChI: InChI=1S/C7H5BrN2/c8-6-3-9-4-7-5(6)1-2-10-7/h1-4,10H
InChIKey: NZUWATDXQMWXMY-UHFFFAOYSA-N
SMILES: C1=NC=C(Br)C2C=CNC1=2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 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 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

ridadr: UN2811
hs_code: 2933998090
hazard_class: IRRITANT

化学と産業

上流・下流製品情報

上流原料

Ethenamine, 2-(3-bromo-5-nitro-4-pyridinyl)-N,N-dimethyl-2-(3-Bromo-5-nitro-4-pyridinyl)-N,N-dimethylethenamine Diethyl (3-bromo-5-nitropyridin-4-yl)malonate 3-Bromo-4-methyl-5-nitropyridine 3-ブロモ-4-ヒドロキシ-5-ニトロピリジン 3-Bromo-4-chloro-5-nitropyridine 4-ヒドロキシ-3-ニトロピリジン

サプライヤー100 社

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

化合物ノート

読み込み中…