CAS 94015-05-1 4-Methylnicotinic acid Hydrochloride (HCID 2796506)

基本情報

CAS: 94015-05-1
標準SMILES: Cc1ccncc1C(=O)O.Cl
InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N
分子式: C7H8ClNO2
平均分子量: 173.6 g/mol
単同位体質量: 173.0243562

名称と識別子

優先名称: 4-Methylnicotinic acid Hydrochloride
IUPAC: 4-methylpyridine-3-carboxylic acid;hydrochloride
現地名: 4-メチルニコチン酸塩酸塩
英語名: 4-Methylnicotinic acid hydrochloride
分子式: C7H8ClNO2
分子量: 173.6

名称と別名

4-Methylnicotinic acid Hydrochloride94015-05-1DTXSID90383834RefChem:294614DTXCID603348584-methylpyridine-3-carboxylic Acid Hydrochloride4-METHYLNICOTINIC ACID HCLMFCD008327004-methylpyridine-3-carboxylic acid;hydrochlorideSCHEMBL1536025AKOS015844280DS-1807

名称をさらに表示

4-メチルニコチン酸塩酸塩4‐メチルニコチン酸塩酸塩4-methylnicotinicacidHCl4-methylpyridine-3-carboxylate4-methylnicotinic acid hydrochlori4-Methylpyridin-3-carboxylic acid HCl4-methylnicotinic acid monohydrochloride4-METHYLNICOTINIC ACID 1.5 HYDROCHLORIDE3-Pyridinecarboxylic acid, 4-Methyl-, hydrochloride

TS-02389CS-00077264-methylnicotinic acid hydrochloride, AldrichCPR4-methylpyridin-1-ium-3-carboxylic acid;chloride4-Methyl-nicotinic acid hydrochlorideFT-0619092orb30305404-MethylnicotinicacidHydrochloride

データベース識別子

CAS: 94015-05-1
PubChem CID: 2796506
DTXSID: DTXSID90383834
EC Number: 677-477-2

物性

構造計算による物性

極性表面積: 50.2 Å²
水素結合供与体数: 2
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: 136

物理化学的性質

融点: 241 °C · 241 °C
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
InChI: 1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N
SMILES: Cl.Cc1ccncc1C(O)=O

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 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.

安全データ

wgk: WGK 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects