3-Chloro-5-cyanopyridine-2-carboxylic acid

HCID 50853176CAS 1200497-81-9

基本情報

標準SMILES: N#Cc1cnc(C(=O)O)c(Cl)c1
InChIKey: NHQRPMDOQOKWPU-UHFFFAOYSA-N
分子式: C7H3ClN2O2
平均分子量: 182.56 g/mol
単同位体質量: 181.988305

名称と識別子

優先名称: 3-Chloro-5-cyanopyridine-2-carboxylic acid
IUPAC: 3-chloro-5-cyanopyridine-2-carboxylic acid
英語名: 2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid
分子式: C7H3ClN2O2
分子量: 182.56

名称と別名

1200497-81-93-chloro-5-cyanopyridine-2-carboxylic acidDTXSID00678884RefChem:93459DTXCID40629633839-588-63-Chloro-5-cyanopicolinic acid3-chloro-5-cyano-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3-chloro-5-cyano-3-chloro-5-cyano-pyridine-2-carboxylic acidMFCD145848173-Chloro-5-cyanopicolinic acid3-chloro-5-cyanopicolinic acid

名称をさらに表示

2-Carboxy-3-chloro-5-cyanopyridine2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid

2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolchloro-5-cyanopicolinic acid3-Chloro-5-cyanopicolinicacidSCHEMBL1173688NHQRPMDOQOKWPU-UHFFFAOYSA-NAYB49781SBB089957AKOS005071736

データベース識別子

CAS: 1200497-81-9
PubChem CID: 50853176
DTXSID: DTXSID00678884
EC Number: 839-588-6

物性

構造計算による物性

XLogP: 1.1
極性表面積: 74 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: 1
重原子数: 12
形式電荷: 0
複雑度: 235

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, 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.