2-(3,4-Difluorophenoxy)acetic acid

HCID 302915

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部分構造検索類似構造を探す

基本情報

CAS: 370-58-1
標準SMILES: O=C(O)COc1ccc(F)c(F)c1
InChIKey: TXHHUINCRBZJDL-UHFFFAOYSA-N
分子式: C8H6F2O3
平均分子量: 188.13 g/mol
単同位体質量: 188.02850037

名称と識別子

優先名称: 2-(3,4-Difluorophenoxy)acetic acid
IUPAC: 2-(3,4-difluorophenoxy)acetic acid
英語名: (3,4-DIFLUOROPHENOXY)ACETIC ACID
分子式: C8H6F2O3
分子量: 188.13

名称と別名

2-(3,4-difluorophenoxy)acetic acidRefChem:454586821-340-3(3,4-difluorophenoxy)acetic acid370-58-1MFCD06823827Acetic acid, (3,4-difluorophenoxy)-3,4-difluorophenoxyacetic acidNSC190664SCHEMBL5278365(3,4-difluorophenoxy)aceticacid3,4-difluorophenoxy acetic acid

名称をさらに表示

2-(3,4-difluorophenoxy)aceticacid2-(3,4-difluorophenoxy)ethanoic acidAcetic acid, 2-(3,4-difluorophenoxy)-

SCHEMBL29540748DTXSID10307299TXHHUINCRBZJDL-UHFFFAOYSA-NALBB-018307AKOS000134351NSC-190664LS-06027DB-289838

データベース識別子

CAS: 370-58-1
PubChem CID: 302915
DTXSID: DTXSID10307299
EC Number: 821-340-3

物性

構造計算による物性

XLogP: 1.6
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 186

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.