CAS 1735-84-8 3-Chloro-2,4,5,6-tetrafluoropyridine (HCID 137183)

名称と識別子

優先名称: 3-Chloro-2,4,5,6-tetrafluoropyridine
IUPAC: 3-chloro-2,4,5,6-tetrafluoropyridine
現地名: 3-クロロ-2,4,5,6-テトラフルオロピリジン
英語名: 3-Chloro-2,4,5,6-tetrafluoropyridine
分子式: C5ClF4N
分子量: 185.51

名称と別名

3-Chloro-2,4,5,6-tetrafluoropyridineRefChem:93375629-102-91735-84-8Pyridine, 3-chloro-2,4,5,6-tetrafluoro-C5ClF4NMFCD000106243-chlorotetrafluoropyridine2-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINESCHEMBL502245AC8881DS-5211

名称をさらに表示

3-クロロ-2,4,5,6-テトラフルオロピリジン2,3,4,6-テトラフルオロ-5-クロロピリジン2,4,5,6-テトラフルオロ-3-クロロピリジン3クロロ2，4，5，6テトラフルオロピリジン2-クロロ-2,4,5,6-テトラフルオロピリジン2‐クロロ‐2,4,5,6‐テトラフルオロピリジン3-Chloroperfluoropyridine.3-CHLORO-TETRAFLUOROPYRIDINE2,3,4,6-Tetrafluoro-5-chloropyridine2,4,5,6-TETRAFLUORO-3-CHLOROPYRIDINEPyridine,3-chloro-2,4,5,6-tetrafluoro-3-Chloro-2,4,5,6-tetrafluoropyridine >3-Chloro-2,4,5,6-tetrafluoropyridine 98%3-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINE, 98 %

AC-24490SY048750AM846103-chloro-2,4,5,6-tetrafluoro-pyridineA3836FT-06153043-chloranyl-2,4,5,6-tetrakis(fluoranyl)pyridineA811531

データベース識別子

CAS: 1735-84-8
PubChem CID: 137183
DTXSID: DTXSID20169628
EC Number: 629-102-9
Nikkaji: J127.322A

物性

構造計算による物性

XLogP: 2.5
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: 5
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 146

物理化学的性質

沸点: 118 · 118-121 °C (lit.)
比重(密度): 1.609 g/mL · 1.609 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.436(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
酸解離定数(Pka): -11.94 · -11.94±0.28(Predicted)
色: Colorless to Almost colorless
比重: 1.641 · 1.641
BRN: 475873 · 475873
InChI: InChI=1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9
InChIKey: UXUZMYHSICIOQT-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=C(F)C(F)=C1Cl
CAS データベース: 1735 · 1735-84-8(CAS DataBase Reference)
NISTの化学物質情報: 3 · Pyridine, 3-chloro-2,4,5,6-tetrafluoro-(1735-84-8)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (10.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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 (10.6%)；Acute Tox. 4 (10.6%)；Skin Corr. 1B (10.6%)；Skin Irrit. 2 (89.4%)；Eye Irrit. 2 (89.4%)；Acute Tox. 4 (10.6%)；STOT SE 3 (87.2%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-22
消防法: 危-4-3-III
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

一般的な説明3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)3) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.