7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

HCID 272004CAS 10178-57-1

基本情報

標準SMILES: CC1(C)Cc2cccc(Br)c2O1
InChIKey: XTVAFNBOFMUWAK-UHFFFAOYSA-N
分子式: C10H11BrO
平均分子量: 227.1 g/mol
単同位体質量: 225.99932707

名称と識別子

優先名称: 7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
IUPAC: 7-bromo-2,2-dimethyl-3H-1-benzofuran
英語名: 7-broMo-2,2-diMethyl-2,3-dihydro-1-benzofuran
分子式: C10H11BrO
分子量: 227.1

名称と別名

7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuranDTXSID20297455RefChem:545632DTXCID10248592824-588-010178-57-1MFCD118581067-bromo-2,2-dimethyl-3H-1-benzofuran7-BROMO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN7-bromo-2,2-dimethyl-3H-benzofuranNSC116035SCHEMBL8897383

名称をさらに表示

Benzofuran, 7-bromo-2,3-dihydro-2,2-dimethyl-

XTVAFNBOFMUWAK-UHFFFAOYSA-NAKOS023833206AB64871AT23972NSC-116035BS-13680SY1786307-bromo-2,3-dihydro-2,2-dimethylbenzofuran

データベース識別子

CAS: 10178-57-1
PubChem CID: 272004
DTXSID: DTXSID20297455
EC Number: 824-588-0
Nikkaji: J2.994.311G

物性

構造計算による物性

XLogP: 3.1
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 179

物理化学的性質

沸点: 261 · 261.0±29.0 °C(Predicted)
比重(密度): 1.383 · 1.383±0.06 g/cm3(Predicted)

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, P317, P319, P321, P330, P332+P317, P337+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.