HCID736097

2-(4-Cyanophenoxy)acetic acid

C9H7NO3177.16 g/molCAS 1878-82-6

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(OCC(=O)O)cc1
InChIKey: BJGOCBAHPWALBX-UHFFFAOYSA-N
分子式: C9H7NO3
平均分子量: 177.16 g/mol
单同位素质量: 177.04259309

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 70.3 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 222

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 36 条

2-(4-cyanophenoxy)acetic acidRefChem:457456829-259-5(4-cyanophenoxy)acetic acid1878-82-6(4-Cyano-phenoxy)-acetic acid4-cyanophenoxyacetic acidAcetic acid, 2-(4-cyanophenoxy)-MFCD01250758Acetic acid, (4-cyanophenoxy)-Enamine_0024514-Cyanophenoxy)acetic acid(4-Cyanophenoxy)aceticAcid4-cyano-phenoxyacetic acid4-cyanophenyloxyacetic acidOprea1_438259SCHEMBL1252411DTXSID30352923BJGOCBAHPWALBX-UHFFFAOYSA-NHMS1400P09

REACTIONS