Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate

HCID 13727591

ノート反応

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基本情報

CAS: 4192-32-9
標準SMILES: COC(=O)c1ccc(C(=O)CBr)s1
InChIKey: KKPYVZJBLYIYRX-UHFFFAOYSA-N
分子式: C8H7BrO3S
平均分子量: 263.11 g/mol
単同位体質量: 261.92993

名称と識別子

優先名称: Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate
IUPAC: methyl 5-(2-bromoacetyl)thiophene-2-carboxylate
英語名: 5-(2-BroMo-acetyl)-thiophene-2-carboxylic acid Methyl ester
分子式: C8H7BrO3S
分子量: 263.11

名称と別名

Methyl 5-(2-bromoacetyl)thiophene-2-carboxylateRefChem:816657825-766-04192-32-95-(2-Bromo-acetyl)-thiophene-2-carboxylic acid methyl esterMFCD13191387Methyl 5-(bromoacetyl)thiophene-2-carboxylate2-bromo-1-(5-methoxycarbonylthiophen-2-yl)-ethanone5-(2-Bromoacetyl)thiophene-2-carboxylic acid methyl esterSCHEMBL277652DTXSID40547767KKPYVZJBLYIYRX-UHFFFAOYSA-N

名称をさらに表示

Arotinolol Impurity 262-Thiophenecarboxylic acid, 5-(2-bromoacetyl)-, methyl ester

EAA19232AKOS022172501AS-48198SY191870DB-358545CS-0217630EN300-80316methyl 5-(bromoacetyl)-2-thiophenecarboxylate

データベース識別子

CAS: 4192-32-9
PubChem CID: 13727591
DTXSID: DTXSID40547767
EC Number: 825-766-0

物性

構造計算による物性

XLogP: 2.6
極性表面積: 71.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 122 · 122-123 °C
沸点: 375.6 · 375.6±32.0 °C(Predicted)
比重(密度): 1.628 · 1.628±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

安全データ

注意喚起語: 危険
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

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上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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化合物ノート

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