(1-benzyl-1H-imidazol-2-yl)acetonitrile

HCID 817477CAS 21125-22-4

基本情報

標準SMILES: N#CCc1nccn1Cc1ccccc1
InChIKey: BMZHQSYXCWLVBE-UHFFFAOYSA-N
分子式: C12H11N3
平均分子量: 197.24 g/mol
単同位体質量: 197.09529736

名称と識別子

優先名称: (1-benzyl-1H-imidazol-2-yl)acetonitrile
IUPAC: 2-(1-benzylimidazol-2-yl)acetonitrile
英語名: (1-Benzyl-1H-imidazol-2-yl)acetonitrile
分子式: C12H11N3
分子量: 197.24

名称と別名

21125-22-4(1-benzyl-1H-imidazol-2-yl)acetonitrileDTXSID70355812RefChem:204445DTXCID403068712-(1-benzyl-1H-imidazol-2-yl)acetonitrile2-(1-benzylimidazol-2-yl)acetonitrile1H-Imidazole-2-acetonitrile, 1-(phenylmethyl)-N-benzyl-2-cyanomethylimidazoleSCHEMBL9715226BMZHQSYXCWLVBE-UHFFFAOYSA-NWAA12522

名称をさらに表示

1-BENZYL-2-CYANOMETHYL IMIDAZOLE1- Benzyl -1H-imidazole-2-acetonitrile

MFCD00234790SBB092180AKOS0013415452-[1-benzylimidazol-2-yl]ethanenitrileDA-20256CS-0243582EN300-26599G44579

データベース識別子

CAS: 21125-22-4
PubChem CID: 817477
DTXSID: DTXSID70355812
EC Number: 101-519-6

物性

構造計算による物性

XLogP: 1.3
極性表面積: 41.6 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 236

物理化学的性質

沸点: 382.2 · 382.2±25.0 °C(Predicted)
比重(密度): 1.08 · 1.08±0.1 g/cm3(Predicted)
酸解離定数(Pka): 5.58 · 5.58±0.31(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

化学と産業

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