1-(3-クロロフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸

1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

HCID 4423672

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 241799-33-7
標準SMILES: Cc1c(C(=O)O)cnn1-c1cccc(Cl)c1
InChIKey: KGGIPUUYWUXTSR-UHFFFAOYSA-N
分子式: C11H9ClN2O2
平均分子量: 236.65 g/mol
単同位体質量: 236.0352552

名称と識別子

優先名称: 1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 1-(3-chlorophenyl)-5-methylpyrazole-4-carboxylic acid
現地名: 1-(3-クロロフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸
英語名: 1-(3-Chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
分子式: C11H9ClN2O2
分子量: 236.65

名称と別名

1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid241799-33-7DTXSID40403137RefChem:224332DTXCID903539911-(3-chlorophenyl)-5-methylpyrazole-4-carboxylic acidMFCD04122759SCHEMBL60524351-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxylic AcidKGGIPUUYWUXTSR-UHFFFAOYSA-NAKOS000189050DA-31202

名称をさらに表示

1-(3-クロロフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸SALOR-INT L317683-1EA1H-Pyrazole-4-carboxylic acid, 1-(3-chlorophenyl)-5-methyl-

SY169204CS-0215963EN300-31550G224855-methyl-1-(3-chlorophenyl)pyrazole-4-carboxylic acidZ3160876021-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylicacid

データベース識別子

CAS: 241799-33-7
PubChem CID: 4423672
DTXSID: DTXSID40403137
EC Number: 979-094-9

物性

構造計算による物性

XLogP: 2.4
極性表面積: 55.1 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: 2
重原子数: 16
形式電荷: 0
複雑度: 275

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.