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Pyridine hydrofluoride

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Name

Pyridine hydrofluoride

EINECS 250-889-6
CAS No. 62778-11-4 Density 1.1
PSA 12.89000 LogP 1.61430
Solubility N/A Melting Point N/A
Formula C5H5N.HF Boiling Point 115.3 °C at 760 mmHg
Molecular Weight 99.1077 Flash Point 20 °C
Transport Information UN 1790 Appearance N/A
Safety 26-28-36/37/39-45 Risk Codes 26/27/28-35
Molecular Structure Molecular Structure of 62778-11-4 (Pyridine hydrofluoride) Hazard Symbols VeryT+
Synonyms

Hydrofluoric acid,polymers,homopolymer,compd. with pyridine;Olah's reagent;HYDROGEN FLUORIDE-PYRIDINE;Hydrogen fluoride-pyridine (70% HF);

Article Data 4

Pyridine hydrofluoride Specification

The Pyridine hydrofluoride, with the cas registry number 62778-11-4, is also called Hydrogen fluoride - pyridine (1:1:1). It belongs to the following product categories: Fluorinating Reagents; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Fluorination; Halogenation; Nucleophilic Fluorinating Reagents; Pyridinium Compounds; Synthetic Organic Chemistry. And the molecular formula of the chemical is C5H5N.HF.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 38.58; (8)ACD/KOC (pH 7.4): 58.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Flash Point: 20 °C; (14)Enthalpy of Vaporization: 35.09 kJ/mol; (15)Boiling Point: 115.3 °C at 760 mmHg; (16)Vapour Pressure: 22.8 mmHg at 25°C.

You should be cautious while dealing with this chemical: It is very toxic by inhalation, in contact with skin and if swallowed, and may causes severe burns. Therefore, you had better take the following instructions: (1)Wear suitable protective clothing, gloves and eye/face protection; (2)After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); (3)In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); (4)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: F.n1ccccc1
(2)InChI: InChI=1/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H
(3)InChIKey: GRJJQCWNZGRKAU-UHFFFAOYAP

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