CAS 207994-08-9 5-Chloro-3-fluoropyridine-2-carboxylic acid (HCID 11769070)

基本情報

CAS: 207994-08-9
標準SMILES: O=C(O)c1ncc(Cl)cc1F
InChIKey: ISWYPIVHUPCJGU-UHFFFAOYSA-N
分子式: C6H3ClFNO2
平均分子量: 175.54 g/mol
単同位体質量: 174.9836342

名称と識別子

優先名称: 5-Chloro-3-fluoropyridine-2-carboxylic acid
IUPAC: 5-chloro-3-fluoropyridine-2-carboxylic acid
現地名: 5-クロロ-3-フルオロピリジン-2-カルボン酸
英語名: 5-chloro-3-fluoropyridine-2-carboxylic acid
分子式: C6H3ClFNO2
分子量: 175.54

名称と別名

207994-08-95-Chloro-3-fluoropyridine-2-carboxylic acidDTXSID80472100RefChem:302504DTXCID50422915696-571-45-chloro-3-fluoropicolinic acid2-Pyridinecarboxylic acid, 5-chloro-3-fluoro-MFCD128275555-chloro-3-fluoro-pyridine-2-carboxylic Acid5-CHLORO-3-FLUORO-2-PYRIDINECARBOXYLIC ACIDALLYLUNDECYLENATE

名称をさらに表示

5-クロロ-3-フルオロピリジン-2-カルボン酸3-Fluoro-5-chloropyridine-2-carboxylic acid5-Chloro-3-fluoro-pyridin-2-carboxylic acid5-Chloro-3-fluoropicolinic acid, 2-Carboxy-5-chloro-3-fluoropyridine

SCHEMBL8752315-chloro-3-fluoropicolinicacidISWYPIVHUPCJGU-UHFFFAOYSA-NSBB089091AKOS006346514AB66361PS-6751BL001904

データベース識別子

CAS: 207994-08-9
PubChem CID: 11769070
DTXSID: DTXSID80472100
EC Number: 696-571-4
Nikkaji: J1.861.143K

物性

構造計算による物性

XLogP: 1.4
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 167

物理化学的性質

沸点: 278.3 · 278.3±35.0 °C(Predicted)
比重(密度): 1.576 · 1.576±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
外見: powder
酸解離定数(Pka): 2.48 · 2.48±0.10(Predicted)
色: Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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)

Aggregated GHS information provided per 3 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)