2,4,6-Trichlorophenoxyacetic acid 分子结构式
HCID11331

2,4,6-Trichlorophenoxyacetic acid

2-(2,4,6-trichlorophenoxy)acetic acid

C8H5Cl3O3255.5 g/molCAS 575-89-3

IDENTITY

结构与身份

标准SMILES
O=C(O)COc1c(Cl)cc(Cl)cc1Cl
InChIKey
KZDCLQBOHGBWOI-UHFFFAOYSA-N
分子式
C8H5Cl3O3
平均分子量
255.5 g/mol
单同位素质量
253.930427

COMPUTED

结构计算性质

已同步
XLogP
3.6
极性表面积
46.5 Ų
氢键供体
1
氢键受体
3
可旋转键
3
重原子
14
形式电荷
0
复杂度
200

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Acetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Acute Tox. 4 (95%);Eye Irrit. 2 (97.5%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Acetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

ALIASES

名称与别名

共 47 条
2,4,6-TRICHLOROPHENOXYACETIC ACID(2,4,6-Trichlorophenoxy)acetic acidAcetic acid, (2,4,6-trichlorophenoxy)-EINECS 209-394-0NSC 61993BRN 1117315A84A99QB9OAI3-09412NSC-61993Acetic acid, 2-(2,4,6-trichlorophenoxy)-DTXSID702061134-06-00-01011 (Beilstein Handbook Reference)RefChem:442889DTXCID70128604209-394-0575-89-32-(2,4,6-trichlorophenoxy)acetic acidMFCD00053498UNII-A84A99QB9ONSC61993

REACTIONS

参与反应

9
HRID 135027 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 168191 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 280239 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588735

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HRID 329768 反应方程式

uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04892952

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HRID 484999 反应方程式

uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04535087

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HRID 652412 反应方程式

uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672065

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HRID 847120 反应方程式

uspto-grants-1992_08 · 10.6084/m9.figshare.5104873.v1 · US05139564

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HRID 1906747 反应方程式

uspto-grants-1987_03 · 10.6084/m9.figshare.5104873.v1 · US04654346

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