3-Chloro-5-(trifluoromethyl)pyridine (HCID 2736698)

名称と識別子

優先名称: 3-Chloro-5-(trifluoromethyl)pyridine
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine
現地名: 3-クロロ-5-(トリフルオロメチル)ピリジン
英語名: 3-Chloro-5-(trifluoromethyl)pyridine
分子式: C6H3ClF3N
分子量: 181.54

名称と別名

3-chloro-5-(trifluoromethyl)pyridine85148-26-1DTXSID30371538RefChem:278382DTXCID00322572678-782-3MFCD00042227Pyridine, 3-chloro-5-(trifluoromethyl)-3-trifluoromethyl-5-chloropyridine3-Chloro-5-trifluoromethylpyridinePS-6449AC-23348

名称をさらに表示

3-クロロ-5-(トリフルオロメチル)ピリジン3-Chloro-5-(trifluoromethyl)pyridine97%3-Chloro-5-(trifluoromethyl)pyridine 97%3-Chloro-5-(trifluoromethyl)pyridine >3-Chloro-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH

EN300-114758AM20070105FT-0615431SCHEMBL394514SCHEMBL876019SCHEMBL939775orb3031415SCHEMBL1116564

データベース識別子

CAS: 85148-26-1
PubChem CID: 2736698
DTXSID: DTXSID30371538
EC Number: 678-782-3

物性

構造計算による物性

XLogP: 2.4
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

融点: 131.5 °C · 131.5 °C
沸点: 144 °C · 144°C
比重(密度): 1.416 · 1.416±0.06 g/cm3(Predicted)
屈折率: 1.446 to · 1.4460 to 1.4500
闪点: 54 ℃ · 54℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 0.52 · 0.52±0.20(Predicted)
InChI: InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey: OMRCXTBFBBWTDL-UHFFFAOYSA-N
SMILES: C1=NC=C(C(F)(F)F)C=C1Cl

化学的性質

化学的特性light yellow crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (91.1%): 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 (97.8%): 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 45 reports by companies from 5 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 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 20/21/22-36/37/38-25
消防法: 危-4-2-III
hazard_code: Xi,Xn,T
hazard_note: Irritant
safety_code: 26-36/37/39-36-45
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用3-Chloro-5-(trifluoromethyl)pyridine (3CTFP) is a pyridinium salt that is a byproduct of the production of chlorofluorocarbons. It is used to reduce the level of chlorine in water, and it can be used as a pesticide. 3CTFP is also an anion that can be reduced to form the chloride ion. 3CTFP reacts with nucleophiles such as ammonia or amines, which leads to nucleophilic substitution reactions. This reaction can be reversed by adding acid. The product from this reaction is ammonia gas.