2-クロロ-6-(トリフルオロメチル)ニコチン酸 塩化物

2-Chloro-6-(trifluoromethyl)nicotinic acid

HCID 2778210
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基本情報

CAS
280566-45-2
標準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
単同位体質量
224.9804405

名称と識別子

優先名称
2-Chloro-6-(trifluoromethyl)nicotinic acid
IUPAC
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid
現地名
2-クロロ-6-(トリフルオロメチル)ニコチン酸 塩化物
英語名
2-Chloro-6-trifluoromethylnicotinic acid
分子式
C7H3ClF3NO2
分子量
225.55

名称と別名

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)-
名称をさらに表示
2-クロロ-6-(トリフルオロメチル)ニコチン酸 塩化物2-クロロ-6-(トリフルオロメチル)ニコチン酸2-クロロ-6-(トリフルオロメチル)-3-ピリジンカルボン酸2-クロロ-6-トリフルオロメチルニコチン酸2-クロロ-6-(トリフルオロメチル)ピリジン-3-カルボン酸RARECHEM AL BO 21842-chloro-6-trifluoromethyl niacin2-chloro-6-trifluoromethylnicotinic2-Chloro-6-(trifluoromethyl)nicotinic Acid >2-Chloro-6-(trifluoromethyl)nicotinic acid ,97%2-CHLORO-6-TRIFLUOROMETHYL NICOTINIC ACID,97+%(GC)2-chloro-6-(trifluoromethyl)pyridine-3-carboxylicaci2-CHLORO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID2-CHLORO-6-TRIFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID
2-Chloro-6-(trifluoromethyl)nicotinicacid2-chloro-6-trifluoromethyl-nicotinic acidSCHEMBL165279SCHEMBL30586206CS-D0797SBB053025AKOS005063886PS-6458

データベース識別子

CAS
280566-45-2
PubChem CID
2778210
DTXSID
DTXSID40380813
EC Number
631-076-9
Nikkaji
J2.126.887I

物性

構造計算による物性

XLogP
2.3
極性表面積
50.2 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
1
重原子数
14

物理化学的性質

融点
120 °C · 120 °C
沸点
271.3 · 271.3±40.0 °C(Predicted)
比重(密度)
1.603 · 1.603±0.06 g/cm3(Predicted)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
外見
powder to crystal
酸解離定数(Pka)
1.42 · 1.42±0.28(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (80%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

安全データ

wgk
3
ridadr
UN 2811 6.1 / PGIII
hs_code
2933399990
risk_code
36/37/38-22
hazard_code
Xi,Xn
hazard_note
Irritant

化学と産業

応用分野

使用2-Chloro-6-trifluoromethylnicotinic acid is used as an intermediate in organic synthesis.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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