1-(3-Bromopropyl)-2-methoxybenzene

HCID 255287CAS 38011-77-7

基本情報

標準SMILES: COc1ccccc1CCCBr
InChIKey: OMTJHFBMYNREKV-UHFFFAOYSA-N
分子式: C10H13BrO
平均分子量: 229.11 g/mol
単同位体質量: 228.01498

名称と識別子

優先名称: 1-(3-Bromopropyl)-2-methoxybenzene
IUPAC: 1-(3-bromopropyl)-2-methoxybenzene

名称と別名

1-(3-bromopropyl)-2-methoxybenzene38011-77-7DTXSID60292181RefChem:224243DTXCID902433231-(3-BROMO-PROPYL)-2-METHOXY-BENZENEBenzene,1-(3-bromopropyl)-2-methoxy-Benzene, 1-(3-bromopropyl)-2-methoxy-NSC80671MFCD00017896SCHEMBL79353SCHEMBL30118964

名称をさらに表示

OMTJHFBMYNREKV-UHFFFAOYSA-N1-bromo-3-(o-methoxyphenyl)propaneNSC-806711-(3-bromopropyl)-2-methoxy-benzeneAKOS000301975AB90584CS-0303187C78175

データベース識別子

CAS: 38011-77-7
PubChem CID: 255287
DTXSID: DTXSID60292181
EC Number: 182-634-9

物性

構造計算による物性

XLogP: 3.8
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: 4
重原子数: 12
形式電荷: 0
複雑度: 116

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.