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Pyrimidine,2-chloro-4,6-dimethyl- (4472-44-0)

Identification
Name:Pyrimidine,2-chloro-4,6-dimethyl-
Synonyms:2-Chloro-4,6-dimethylpyrimidine;4,6-Dimethyl-2-chloropyrimidine;NSC 49016;
CAS:4472-44-0
Molecular Formula: C6H7ClN2
Molecular Weight: 142.59
InChI: InChI=1/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
Molecular Structure: (C6H7ClN2) 2-Chloro-4,6-dimethylpyrimidine;4,6-Dimethyl-2-chloropyrimidine;NSC 49016;
Properties
Transport:UN 2265
Melting Point: 34-36ºC
Density:1.184 g/cm3
Refractive index:1,428
Appearance:white crystal
Specification:

The 2-Chloro-4,6-dimethylpyrimidine with the cas number 4472-44-0. It is also called Pyrimidine, 2-chloro-4,6-dimethyl-. It belongs to the following product categories: (1)Pyrimidine; (2)pharmacetical; (3)Halides; (4)Pyrazines, Pyrimidines & Pyridazines. It can be used for a kind of important pharmaceutical intermediates.

Properties of 2-Chloro-4,6-dimethylpyrimidine are: (1)ACD/LogP: 1.28 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.28 ; (4)ACD/LogD (pH 7.4): 1.28 ; (5)ACD/BCF (pH 5.5): 5.53 ; (6)ACD/BCF (pH 7.4): 5.53 ; (7)ACD/KOC (pH 5.5): 118.41 ; (8)ACD/KOC (pH 7.4): 118.41 ; (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: 1.526 ; (14)Molar Refractivity: 36.98 cm3 ; (15)Molar Volume: 120.3 cm3 ; (16)Polarizability: 14.66 ×10-24cm3 ; (17)Surface Tension: 42.1 dyne/cm ; (18)Density: 1.184 g/cm3 ; (19)Flash Point: 104.8 °C ; (20)Enthalpy of Vaporization: 43.39 kJ/mol ; (21)Boiling Point: 216 °C at 760 mmHg ; (22)Vapour Pressure: 0.211 mmHg at 25°C

Uses of 2-Chloro-4,6-dimethylpyrimidine: 2-Chloro-4,6-dimethylpyrimidine can be used as reactant in many reations. For instance, it can react with trimethylamine to obtain (4,6-dimethyl-pyrimidin-2-yl)-trimethyl-ammonium; chloride at room temperature for 1h in benzene as solvent. The yield is 91 % .

When you are using 2-Chloro-4,6-dimethylpyrimidine, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, Do not breathe dust, because it is quite harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure :
1.SMILES:Clc1nc(cc(n1)C)CCopyCopied
2.InChI:InChI=1/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3

Toxic information of 2-Chloro-4,6-dimethylpyrimidine can be showed as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12211,
mouse LDLo intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS
Biochemical Pharmacology. Vol. 21, Pg. 277, 1972.

Safety Data