CAS 139909-66-3 2-(Difluoromethoxy)-6-methylaniline (HCID 18981673)

基本情報

CAS: 139909-66-3
標準SMILES: Cc1cccc(OC(F)F)c1N
InChIKey: AUCZKWLCAYXRAY-UHFFFAOYSA-N
分子式: C8H9F2NO
平均分子量: 173.16 g/mol
単同位体質量: 173.06522023

名称と識別子

優先名称: 2-(Difluoromethoxy)-6-methylaniline
IUPAC: 2-(difluoromethoxy)-6-methylaniline
英語名: Benzenamine, 2-(difluoromethoxy)-6-methyl-
分子式: C8H9F2NO
分子量: 173.16

名称と別名

2-(difluoromethoxy)-6-methylaniline139909-66-3DTXSID10597097RefChem:253754DTXCID30547857870-334-7Benzenamine, 2-(difluoromethoxy)-6-methyl-SCHEMBL8764050SCHEMBL297788392-difluoromethoxy-6-methyl anilinePFA909662-(difluoromethoxy)-6-methyl-aniline

名称をさらに表示

AKOS009472555AT129562-(Difluoromethoxy)-6-methylbenzenamineDB-133822CS-0216848EN300-62466Z421792212

データベース識別子

CAS: 139909-66-3
PubChem CID: 18981673
DTXSID: DTXSID10597097
EC Number: 870-334-7

物性

構造計算による物性

XLogP: 2.5
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 143

物理化学的性質

沸点: 231.7 · 231.7±35.0 °C(Predicted)
比重(密度): 1.208 · 1.208±0.06 g/cm3(Predicted)
酸解離定数(Pka): 3.15 · 3.15±0.10(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.