CAS 1206124-23-3 5-(Chloromethyl)-2-(propan-2-yloxy)benzonitrile (HCID 66847703)

基本情報

CAS: 1206124-23-3
標準SMILES: CC(C)Oc1ccc(CCl)cc1C#N
InChIKey: OGOCEJJFFRRIEG-UHFFFAOYSA-N
分子式: C11H12ClNO
平均分子量: 209.67 g/mol
単同位体質量: 209.0607417

名称と識別子

優先名称: 5-(Chloromethyl)-2-(propan-2-yloxy)benzonitrile
IUPAC: 5-(chloromethyl)-2-propan-2-yloxybenzonitrile

名称と別名

1206124-23-35-(Chloromethyl)-2-(propan-2-yloxy)benzonitrileRefChem:530956971-828-65-(Chloromethyl)-2-isopropoxybenzonitrileSCHEMBL932494OGOCEJJFFRRIEG-UHFFFAOYSA-NDB-196122

データベース識別子

CAS: 1206124-23-3
PubChem CID: 66847703
EC Number: 971-828-6

物性

構造計算による物性

XLogP: 2.8
極性表面積: 33 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: 14
形式電荷: 0
複雑度: 221

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, 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.