CAS 345891-28-3 Methyl 5-bromo-2-methylfuran-3-carboxylate (HCID 15534190)

基本情報

CAS: 345891-28-3
標準SMILES: COC(=O)c1cc(Br)oc1C
InChIKey: HQEFZABRNVWGBR-UHFFFAOYSA-N
分子式: C7H7BrO3
平均分子量: 219.03 g/mol
単同位体質量: 217.95785618

名称と識別子

優先名称: Methyl 5-bromo-2-methylfuran-3-carboxylate
IUPAC: methyl 5-bromo-2-methylfuran-3-carboxylate
英語名: METHYL 5-BROMO-2-METHYLFURAN-3-CARBOXYLATE
分子式: C7H7BrO3
分子量: 219.03

名称と別名

Methyl 5-bromo-2-methylfuran-3-carboxylate345891-28-3DTXSID70573791RefChem:356014DTXCID90524563848-191-7MFCD09028427methyl 5-bromo-2-methyl-3-furancarboxylate3-Furancarboxylic acid, 5-bromo-2-methyl-, methyl esterMethyl5-bromo-2-methylfuran-3-carboxylateSCHEMBL1598651HQEFZABRNVWGBR-UHFFFAOYSA-N

名称をさらに表示

5-Bromo-2-methylfuran-3-carboxylic acid methyl ester

methyl 5-bromo-2-methyl-3-furoateVNA89128AKOS015899193SB61782SY209705DB-320036EN300-254935G62731

データベース識別子

CAS: 345891-28-3
PubChem CID: 15534190
DTXSID: DTXSID70573791
EC Number: 848-191-7
Nikkaji: J1.493.127I

物性

構造計算による物性

XLogP: 2.3
極性表面積: 39.4 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: 2
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 218.8 · 218.8±35.0 °C(Predicted)
比重(密度): 1.536 · 1.536±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.