(3-Bromo-5-nitrophenyl)methanol

HCID 14866972

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基本情報

CAS: 139194-79-9
標準SMILES: O=[N+]([O-])c1cc(Br)cc(CO)c1
InChIKey: WIXGOPRKQQGTHO-UHFFFAOYSA-N
分子式: C7H6BrNO3
平均分子量: 232.03 g/mol
単同位体質量: 230.95311

名称と識別子

優先名称: (3-Bromo-5-nitrophenyl)methanol
IUPAC: (3-bromo-5-nitrophenyl)methanol
英語名: 3-Bromo-5-nitrobenzyl alcohol
分子式: C7H6BrNO3
分子量: 232.03

名称と別名

(3-bromo-5-nitrophenyl)methanol139194-79-93-BROMO-5-NITROBENZYL ALCOHOLBenzenemethanol, 3-bromo-5-nitro-MFCD09056873(3-bromo-5-nitro-phenyl)methanolSCHEMBL600500DTXSID30564822(3-bromo-5-nitrophenyl) methanolAMY142903-bromo-5-nitrobenzenemethanolSCHEMBL16956753

名称をさらに表示

3-Bromo-5-nitrobenzylalcohol97%3-Bromo-5-nitrobenzyl alcohol 97%(3-Bromo-5-nitrophenyl)methanol, 3-Bromo-5-(hydroxymethyl)nitrobenzene

SCHEMBL31434425PFA19479XH14633-NITRO-5-BROMOBENZYL ALCOHOLAKOS025129210MB07065PS-10572SY232367

データベース識別子

CAS: 139194-79-9
PubChem CID: 14866972
DTXSID: DTXSID30564822
EC Number: 116-616-9

物性

構造計算による物性

XLogP: 1.6
極性表面積: 66.1 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 171

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C7H6BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChIKey: WIXGOPRKQQGTHO-UHFFFAOYSA-N
SMILES: C1(CO)=CC([N+]([O-])=O)=CC(Br)=C1

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.