1-(Bromomethyl)-3-methoxy-5-methylbenzene

HCID 585534

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基本情報

CAS: 106116-42-1
標準SMILES: COc1cc(C)cc(CBr)c1
InChIKey: MKSIZXUATJUOTA-UHFFFAOYSA-N
分子式: C9H11BrO
平均分子量: 215.09 g/mol
単同位体質量: 213.99933

名称と識別子

優先名称: 1-(Bromomethyl)-3-methoxy-5-methylbenzene
IUPAC: 1-(bromomethyl)-3-methoxy-5-methylbenzene
英語名: 1-(Bromomethyl)-3-methoxy-5-methylbenzene
分子式: C9H11BrO
分子量: 215.09

名称と別名

1-(bromomethyl)-3-methoxy-5-methylbenzene106116-42-1DTXSID60342892RefChem:427293DTXCID20293972959-941-91-Bromomethyl-3-methoxy-5-methylbenzene1-bromomethyl-3-methoxy-5-methyl-benzeneBenzene, 1-(bromomethyl)-3-methoxy-5-methyl-MFCD092640623-bromomethyl-5-methylanisoleSCHEMBL1936578

名称をさらに表示

GEA11642AKOS016007262AB50499DB-363483C90360EN300-256224

データベース識別子

CAS: 106116-42-1
PubChem CID: 585534
DTXSID: DTXSID60342892
EC Number: 959-941-9
Nikkaji: J1.262.908G

物性

構造計算による物性

XLogP: 2.8
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: 2
重原子数: 11
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 38 °C · 38 °C(Solv: methanol (67-56-1))
沸点: 263.7 · 263.7±25.0 °C(Predicted)
比重(密度): 1.351 · 1.351±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]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.