CAS 86603-94-3 2-(6-Methoxynaphthalen-2-yl)propanenitrile (HCID 607344)

基本情報

CAS: 86603-94-3
標準SMILES: COc1ccc2cc(C(C)C#N)ccc2c1
InChIKey: QAILMFURFUYAJA-UHFFFAOYSA-N
分子式: C14H13NO
平均分子量: 211.26 g/mol
単同位体質量: 211.09971404

名称と識別子

優先名称: 2-(6-Methoxynaphthalen-2-yl)propanenitrile
IUPAC: 2-(6-methoxynaphthalen-2-yl)propanenitrile
英語名: 2-(6-methoxynaphthalen-2-yl)propanenitrile
分子式: C14H13NO
分子量: 211.25912

名称と別名

2-(6-methoxynaphthalen-2-yl)propanenitrile86603-94-3RefChem:459240822-826-82-(6-Methoxy-2-naphthyl)propanenitrileMFCD020683772-(6-Methoxy-2-naphthyl)propionitrile2-Naphthaleneacetonitrile, 6-methoxy-a-methyl- (9CI, ACI); 6-Methoxy-a-methyl-2-naphthaleneacetonitrile (ACI); (+/-)-Naproxen nitrile; 2-(6-Methoxy-2-naphthyl)propionitrile; a-Methyl-6-methoxy-2-NaphthaleneacetonitrilePropanenitrile, 2-(6-methoxy-2-naphthyl)-SCHEMBL2912071SCHEMBL29819475LDA60394

名称をさらに表示

(6-methoxy-2-naphthyl)propanonitrile(6-methoxy-2-naphthyl)-propanonitrileAKOS008129049SY1936562-(6-Methoxy-2-naphthyl)propanenitrile #CS-02650722-(6-methoxy-naphthalen-2-yl)-propionitrileEN300-96292

データベース識別子

CAS: 86603-94-3
PubChem CID: 607344
EC Number: 822-826-8
Nikkaji: J637.436K

物性

構造計算による物性

XLogP: 3.5
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: 2
重原子数: 16
形式電荷: 0
複雑度: 280

物理化学的性質

溶解性: Chloroform(Slightly),DMSO(Slightly),Methanol(Slightly)
外見: Solid
色: Pale Yellow to Light Beige

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.