Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4,6-Trichloropyrimidine |
EINECS | 223-183-0 |
CAS No. | 3764-01-0 | Density | 1.641 g/cm3 |
PSA | 25.78000 | LogP | 2.43680 |
Solubility | Insoluble in water | Melting Point |
23-25 °C(lit.) |
Formula | C4HCl3N2 | Boiling Point | 212.7 °C at 760 mmHg |
Molecular Weight | 183.424 | Flash Point | 102.5 °C |
Transport Information | UN1759 | Appearance | clear colorless to yellowish liquid after melting |
Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
AI3-26566;CCRIS 7597;NSC 6494; |
Article Data | 28 |
Conditions | Yield |
---|---|
With anhydrous phosphorus trichloride; chlorine; trichlorophosphate | 96% |
Conditions | Yield |
---|---|
93% | |
With 1-methyl-pyrrolidin-2-one; anhydrous phosphorus trichloride; chlorine; trichlorophosphate | 90% |
With anhydrous phosphorus trichloride; chlorine; trichlorophosphate In water | 81% |
Conditions | Yield |
---|---|
With N,N-dimethyl-aniline; trichlorophosphate for 3h; Reflux; | 85% |
Conditions | Yield |
---|---|
Stage #1: 2-Amino-4,6-dichloropyrimidine With tert.-butylnitrite In N,N-dimethyl-formamide; acetonitrile at 20℃; Sandmeyer Reaction; Flow reactor; Stage #2: With copper dichloride In ethylene glycol; N,N-dimethyl-formamide; acetonitrile at 82℃; Sandmeyer Reaction; Flow reactor; | 20% |
Conditions | Yield |
---|---|
at 185℃; |
Conditions | Yield |
---|---|
at 200℃; |
Conditions | Yield |
---|---|
With trichlorophosphate |
BARBITURIC ACID
trichlorophosphate
2,4,6-trichloropyrimidine
Conditions | Yield |
---|---|
at 130 - 140℃; im Rohr; |
malonic acid
urea
trichlorophosphate
A
2,4,6-trichloropyrimidine
B
BARBITURIC ACID
The 2,4,6-Trichloropyrimidine, with the CAS registry number 3764-01-0 and EINECS registry number 223-183-0, belongs to the product categories: Pyridines, Pyrimidines, Purines and Pteredines; Organics; Pharmacetical; Pyridine; Pyrimidine; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; Pyrimidines Heterocyclic Building Blocks. It is a kind of clear colorless to yellowish liquid after melting, and the molecular formula of the chemical is C4HCl3N2.
The characteristics of 2,4,6-Trichloropyrimidine are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.26; (6)ACD/BCF (pH 7.4): 18.26; (7)ACD/KOC (pH 5.5): 278.37; (8)ACD/KOC (pH 7.4): 278.37; (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: 1.578; (14)Molar Refractivity: 37.12 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 14.71×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.641 g/cm3; (19)Flash Point: 102.5 °C; (20)Enthalpy of Vaporization: 43.07 kJ/mol; (21)Boiling Point: 212.7 °C at 760 mmHg; (22)Vapour Pressure: 0.248 mmHg at 25°C.
Uses of 2,4,6-Trichloropyrimidine: It can react with methanol; sodium salt to produce 4-chloro-2,6-dimethoxy-pyrimidine. This reaction will need reagent methanol, and the yield is about 80%.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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: c1c(nc(nc1Cl)Cl)Cl
(2)InChI: InChI=1/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
(3)InChIKey: DPVIABCMTHHTGB-UHFFFAOYAK