6-Chloronicotinic acid 分子结构式
HCID79222

6-Chloronicotinic acid

6-chloropyridine-3-carboxylic acid

C6H4ClNO2157.55 g/molCAS 5326-23-8

IDENTITY

结构与身份

标准SMILES
O=C(O)c1ccc(Cl)nc1
InChIKey
UAWMVMPAYRWUFX-UHFFFAOYSA-N
分子式
C6H4ClNO2
平均分子量
157.55 g/mol
单同位素质量
156.9930561

COMPUTED

结构计算性质

已同步
XLogP
2.7
极性表面积
50.2 Ų
氢键供体
1
氢键受体
3
可旋转键
1
重原子
10
形式电荷
0
复杂度
140

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 8 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

Commission Regulation No 844/2012

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (98.7%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Commission Regulation No 844/2012

USES

用途与制造

来源:PubChem
Use Classification

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Transformation products

General Manufacturing Information

3-Pyridinecarboxylic acid, 6-chloro-: ACTIVE

ALIASES

名称与别名

共 69 条
6-Chloronicotinic acid5326-23-86-Chloropyridine-3-carboxylic acid6-Chloro-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 6-chloro-DTXSID6063775NSC-27799V0U0120ARefChem:104444DTXCID2041381226-201-56-Chloro-nicotinic acidMFCD000062416-Chloronicotinicacid6-chloro nicotinic acidacetamiprid TP3UNII-99V0U0120Aimidacloprid TP2NSC 277EINECS 226-201-5

REACTIONS

参与反应

489
HRID 1223 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723620

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HRID 1224 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723620

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HRID 5985 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246962

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HRID 6559 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05248777

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HRID 30464 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423147B2

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HRID 36348 反应方程式

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05414007

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HRID 37445 反应方程式

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05420285

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HRID 39447 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524910B2

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