CAS 4677-20-7 4-(2-Bromoethyl)oxane (HCID 22637012)

基本情報

CAS: 4677-20-7
標準SMILES: BrCCC1CCOCC1
InChIKey: WPDAWFCZGSQOPZ-UHFFFAOYSA-N
分子式: C7H13BrO
平均分子量: 193.08 g/mol
単同位体質量: 192.01497714

名称と識別子

優先名称: 4-(2-Bromoethyl)oxane
IUPAC: 4-(2-bromoethyl)oxane
現地名: 4-(2-ブロモエチル)テトラヒドロ-2H-ピラン
英語名: 4-(2-Bromoethyl)-tetrahydropyran
分子式: C7H13BrO
分子量: 193.08

名称と別名

4677-20-74-(2-bromoethyl)oxaneDTXSID30627188RefChem:287116DTXCID20577941820-302-34-(2-bromoethyl)tetrahydropyran4-(2-Bromoethyl)tetrahydro-2H-pyran4-(2-Bromoethyl)-tetrahydropyranMFCD098004144-(2-bromo-ethyl)-tetrahydro-pyran4-(2-Bromoethyl)tetrahydro-2H-pyran; 4-(2-Bromoethyl)tetrahydropyran

名称をさらに表示

4-(2-ブロモエチル)テトラヒドロ-2H-ピラン4-(2-ブロモエチル)テトラヒドロピラン4-BromoethyltetrahydropyranPyran, 4-(2-bromoethyl)tetrahydro-tert-butyl 3-allyl-3-hydroxyazetidine-75-carboxylate

2H-PYRAN, 4-(2-BROMOETHYL)TETRAHYDRO-SCHEMBL1958842WPDAWFCZGSQOPZ-UHFFFAOYSA-NCS-M3430SBB091534AKOS0131538234-(2-bromoethyl)-tetrahydro-2H-pyranAB52526

データベース識別子

CAS: 4677-20-7
PubChem CID: 22637012
DTXSID: DTXSID30627188
EC Number: 820-302-3

物性

構造計算による物性

XLogP: 1.9
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: 2
重原子数: 9
形式電荷: 0
複雑度: 69.3

物理化学的性質

沸点: 224 ℃ · 224℃
比重(密度): 1.302 · 1.302
闪点: 89 ℃ · 89℃
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.