CAS 50735-33-6 Methyl 2-amino-5-chloronicotinate (HCID 15828199)

基本情報

CAS: 50735-33-6
標準SMILES: COC(=O)c1cc(Cl)cnc1N
InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
分子式: C7H7ClN2O2
平均分子量: 186.59 g/mol
単同位体質量: 186.0196052

名称と識別子

優先名称: Methyl 2-amino-5-chloronicotinate
IUPAC: methyl 2-amino-5-chloropyridine-3-carboxylate
現地名: 2-アミノ-5-クロロニコチン酸メチル
英語名: 2-Amino-5-chloro-nicotinic acid methyl ester
分子式: C7H7ClN2O2
分子量: 186.6

名称と別名

Methyl 2-amino-5-chloronicotinateRefChem:814064816-991-550735-33-62-AMINO-5-CHLORO-NICOTINIC ACID METHYL ESTERMETHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATEMFCD090316783-Pyridinecarboxylic acid, 2-amino-5-chloro-, methyl estermethyl 2-amino-5-chloro-pyridine-3-carboxylate2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTERSCHEMBL914850SCHEMBL29733564

名称をさらに表示

2-アミノ-5-クロロニコチン酸メチル

Methyl2-amino-5-chloronicotinateDTXSID50578668PEYKGXOKTQNWCI-UHFFFAOYSA-NACA73533Methyl 2-amino-5-chloronicotinate?AKOS006238320AB49362AC-33905

データベース識別子

CAS: 50735-33-6
PubChem CID: 15828199
DTXSID: DTXSID50578668
EC Number: 816-991-5
Nikkaji: J992.485J

物性

構造計算による物性

XLogP: 1.5
極性表面積: 65.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 177

物理化学的性質

貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
InChI: InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)C=C1C(OC)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+P338, P317, 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.