CAS No.2802-61-1,2,4-DIFLUOROPYRIMIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2802-61-1
Name:	2,4-DIFLUOROPYRIMIDINE
Article Data:	5

Formula:	C₄H₂F₂N₂
Molecular Weight:	116.07
Synonyms:	2,4-Difluoropyrimidine;NSC 331813;2,4-difluoropyrimidine;Pyrimidine, 2,4-difluoro-;
EINECS:	-0
Density:	1.376 g/cm³
Boiling Point:	202.7 °C at 760 mmHg
Flash Point:	76.4 °C
Hazard Symbols:	Xi; Xn
Risk Codes:	10-22-37/38-41
Safety:	26-39
Transport Information:	UN 1993 3/PG 3
PSA:	25.78000
LogP:	0.75480

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Specification

The Pyrimidine,2,4-difluoro-, with the CAS registry number 2802-61-1, has the systematic name and IUPAC name of 2,4-difluoropyrimidine. It belongs to the following product categories: Halides; Pyrazines, Pyrimidines & Pyridazines; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks. And the molecular formula of the chemical is C₄H₂F₂N₂.

The characteristics of Pyrimidine,2,4-difluoro- are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.06; (8)ACD/KOC (pH 7.4): 26.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 22.42 cm³; (15)Molar Volume: 84.3 cm³; (16)Polarizability: 8.88×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 76.4 °C; (20)Enthalpy of Vaporization: 42.1 kJ/mol; (21)Boiling Point: 202.7 °C at 760 mmHg; (22)Vapour Pressure: 0.41 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to respiratory system and skin, and it is also harmful if swallowed. What's more, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting 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: Fc1nc(F)ncc1
(2)InChI: InChI=1/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
(3)InChIKey: JZSYSXZDIQUOGP-UHFFFAOYAZ