CAS 5775-89-3 ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate (HCID 7022226)

基本情報

CAS: 5775-89-3
標準SMILES: CCOC(=O)c1c(Br)c(C)nn1C
InChIKey: CVIBYCFOGAXTBZ-UHFFFAOYSA-N
分子式: C8H11BrN2O2
平均分子量: 247.09 g/mol
単同位体質量: 246.00039

名称と識別子

優先名称: ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
IUPAC: ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylate
英語名: 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester
分子式: C8H11BrN2O2
分子量: 247.09

名称と別名

ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate5775-89-3RefChem:343855970-952-8ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylateMFCD02253803ethyl 4-bromo-2,5-dimethylpyrazole-3-carboxylate1H-pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, ethyl esterZINC025784424-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid ethyl esterAKOS PAO-0114SCHEMBL1431561

名称をさらに表示

ETHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATEethyl 4-bromo-2,5-dimethyl-pyrazole-3-carboxylate4-Bromo-1,3-dimethyl-5-(ethoxycarbonyl)-1H-pyrazoleEthyl 4-bromo-1,3-dimethyl-1H-pyrazol-5-carboxylate2-ethyl-5-methyl-3-pyrazolecarboxylic acid ethyl ester

BUTTPARK 52\11-37CVIBYCFOGAXTBZ-UHFFFAOYSA-NALBB-014450SBB020209STK313028XH0643AKOS000307699FS-1835

データベース識別子

CAS: 5775-89-3
PubChem CID: 7022226
EC Number: 970-952-8

物性

構造計算による物性

XLogP: 1.9
極性表面積: 44.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 201

物理化学的性質

沸点: 114 °C · 114 °C(Press: 2 Torr)
比重(密度): 1.52 · 1.52±0.1 g/cm3(Predicted)
酸解離定数(Pka): -1.01 · -1.01±0.10(Predicted)
外見: low melting solid
色: White

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2933199090

化学と産業

サプライヤー36 社

上海康恩博医药科技有限公司17510465506 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

化合物ノート

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