3,5-Difluoropyridine (HCID 642820)

名称と識別子

優先名称: 3,5-Difluoropyridine
IUPAC: 3,5-difluoropyridine
現地名: 3,5-ジフルオロピリジン
英語名: 3,5-Difluoropyridine
分子式: C5H3F2N
分子量: 115.08

名称と別名

3,5-difluoropyridine71902-33-5pyridine, 3,5-difluoro-DTXSID70349074RefChem:91523DTXCID30300146624-636-9InChI=1/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3MFCD034122223,5-difluoro-pyridineSCHEMBL566353,5-Difluoropyridine, 97%

名称をさらに表示

3,5-ジフルオロピリジン3,5-ジフルオロピリジン, 98%3,5-Difluropyridine3,5-Difluoropyridine>3,5-Difluoropyridine98%3,5-Difluoropyridine 98%3,5-Difluoropyridine ISO 9001：2015 REACH

SCHEMBL134979SCHEMBL427559WRXAZPPGFLETFR-UHFFFAOYSA-NGEO-03900SBB054377AKOS005063397AB14383CS-W001244

データベース識別子

CAS: 71902-33-5
PubChem CID: 642820
DTXSID: DTXSID70349074
EC Number: 624-636-9
Nikkaji: J966.797K

物性

構造計算による物性

XLogP: 1.1
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: 3
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 68.8

物理化学的性質

沸点: 92 · 92-93°C
比重(密度): 1.256 g/mL · 1.256 g/mL at 25 °C
屈折率: 1.4437 · 1.4437
闪点: 9 °C · 9°C
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): 0.39 · 0.39±0.20(Predicted)
色: Colorless to Almost colorless
BRN: 7914363 · 7914363
InChI: InChI=1S/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey: WRXAZPPGFLETFR-UHFFFAOYSA-N
SMILES: C1=NC=C(F)C=C1F
CAS データベース: 71902 · 71902-33-5(CAS DataBase Reference)

化学的性質

化学的特性Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: 1993
hs_code: 29333990
risk_code: 36/37/38-50-20/21/22-11
消防法: 危-4-1-II
hazard_code: Xi,F,N,Xn
hazard_note: Highly Flammable/Irritant
safety_code: 26-36/37/39-61-36/37
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

調製方法 · 1 件

製造方法Synthesis of 3,5-Difluoropyridine: A solution of 2,4,6-tribromo-3,5-difluoropyridine (11) (34.0 g, 97 mmol) in DCM (200 cm3) was washed with activated carbon and filtered. A palladium catalyst (3.4 g of a 5% Pd/C commercially available product) and triethylamine (45 cm3, 31.5 g, 312 mmol) were added to the filtrate and the mixture hydrogenated in a Parr apparatus at 4 Bar for 21 h. The mixture was filtered, water (200 cm3) added and extracted into DCM. Distillation of the DCM solution on Fischer-Spaltrohr apparatus gave 3,5-difluoropyridine (7.0 g, 61 mmol, 63%), b.p. 92.5 ·c (Found: C, 52.2; H, 3.0; N, 12.2. C5H3F2N2 requires C, 52.2; H, 3.0; N, 12.2%); IR spectrum no. 1; mass spectrum no. 1; nrnr spectrum no. 8.