3,5-ジクロロ-2-ピリジンカルボン酸

3,5-Dichloro-2-pyridinecarboxylic acid

HCID 219989CAS 81719-53-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)c1ncc(Cl)cc1Cl
InChIKey: JYKZCYLZWZCQFP-UHFFFAOYSA-N
分子式: C6H3Cl2NO2
平均分子量: 192 g/mol
単同位体質量: 190.9540837

名称と識別子

優先名称: 3,5-Dichloro-2-pyridinecarboxylic acid
IUPAC: 3,5-dichloropyridine-2-carboxylic acid
現地名: 3,5-ジクロロ-2-ピリジンカルボン酸
英語名: 3,5-Dichloro-2-pyridinecarboxylic acid
分子式: C6H3Cl2NO2
分子量: 192

名称と別名

81719-53-13,5-DICHLORO-2-PYRIDINECARBOXYLIC ACID3,5-dichloropyridine-2-carboxylic acidDTXSID20277373RefChem:486715DTXCID10228531813-620-93,5-dichloropicolinic acidMFCD032300052-Pyridinecarboxylic acid, 3,5-dichloro-NSC20103,5-Dichloropyridine-2-carboxylicAcid

名称をさらに表示

3,5-ジクロロ-2-ピリジンカルボン酸3,5-ジクロロピリジン-2-カルボン酸RARECHEM AL BO 24015-Dichloro-2-pyridinecarboxylic acid2-Pyridinecarboxylicacid, 3,5-dichloro-3,5-DICHLORO-2-PYRIDINECARBOXYLIC ACID 98+%3,5-Dichloro-2-pyridinecarboxylic acid ISO 9001：2015 REACH3,5-Dichloropicolinic acid, 2-Carboxy-3,5-dichloropyridine

SCHEMBL287761SCHEMBL5460477JYKZCYLZWZCQFP-UHFFFAOYSA-NNSC-2010SBB052940AKOS005258279AB13812AC-9474

データベース識別子

CAS: 81719-53-1
PubChem CID: 219989
DTXSID: DTXSID20277373
EC Number: 813-620-9
Nikkaji: J1.537.726G

物性

構造計算による物性

XLogP: 2
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 165

物理化学的性質

融点: 153 · 153-154 °C
沸点: 315.4 · 315.4±37.0 °C(Predicted)
比重(密度): 1.612 · 1.612±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder
酸解離定数(Pka): 2.12 · 2.12±0.25(Predicted)
色: White
CAS データベース: 81719 · 81719-53-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 3.2% (1 of 31) of reports.

Danger

H301 (93.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (93.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 31 reports by companies.；There are 3 notifications provided by 30 of 31 reports by companies with hazard statement code(s).；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.