CAS 84212-05-5 [4-(Phenylsulfanyl)phenyl]methanamine (HCID 12842469)

基本情報

CAS: 84212-05-5
標準SMILES: NCc1ccc(Sc2ccccc2)cc1
InChIKey: OEDXLXUXHSCZKP-UHFFFAOYSA-N
分子式: C13H13NS
平均分子量: 215.32 g/mol
単同位体質量: 215.07687059

名称と識別子

優先名称: [4-(Phenylsulfanyl)phenyl]methanamine
IUPAC: (4-phenylsulfanylphenyl)methanamine

名称と別名

[4-(phenylsulfanyl)phenyl]methanamine84212-05-5(4-phenylsulfanylphenyl)methanamine4-phenylthiobenzylamine4-phenylsulfanyl-benzylamineSCHEMBL921146OEDXLXUXHSCZKP-UHFFFAOYSA-NJDA21205AKOS009558436EN300-114785G42413Z429582962

データベース識別子

CAS: 84212-05-5
PubChem CID: 12842469
EC Number: 123-504-3

物性

構造計算による物性

XLogP: 2.8
極性表面積: 51.3 Å²
水素結合供与体数: 1
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: 169

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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.