HCID2778210

2-Chloro-6-(trifluoromethyl)nicotinic acid

2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid

C7H3ClF3NO2225.55 g/molCAS 280566-45-2

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc(C(F)(F)F)nc1Cl
InChIKey: DXRBTBMFFGEVCX-UHFFFAOYSA-N
分子式: C7H3ClF3NO2
平均分子量: 225.55 g/mol
单同位素质量: 224.9804405

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 50.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 233

GHS

GHS分类

GHS Classification

Danger

H301 (80%): Toxic if swallowed [Danger 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 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 50 reports by companies from 9 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

Hazard Classes and Categories

Acute Tox. 3 (80%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

ALIASES

名称与别名

共 33 条

280566-45-22-Chloro-6-(trifluoromethyl)nicotinic acidDTXSID40380813RefChem:259062DTXCID70331838631-076-92-Chloro-6-trifluoromethylnicotinic acid2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic AcidMFCD018626582-chloro-6-trifluoromethylpyridine-3-carboxylic acid2-Chloro-6-(trifluoromethyl)nicotinic acid;2-chloro-6-(trifluoromethyl)nicotinic acid;2-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-2-Chloro-6-(trifluoromethyl)nicotinicacid2-chloro-6-trifluoromethyl-nicotinic acidSCHEMBL165279SCHEMBL30586206CS-D0797SBB053025AKOS005063886PS-6458

REACTIONS