Productschevron_right
56-05-3

56-05-3

2-Amino-4,6-dichloropyrimidine

Synonyms
  • 2-Amino-4,6-dichloropyrimidine
  • 56-05-3
  • 4,6-dichloropyrimidin-2-amine
  • 4,6-Dichloro-2-pyrimidinamine
  • 4,6-Dichloropyrimidin-2-ylamine
Molecular Formula
C4H3Cl2N3

Get a free no-obligation quote

We typically respond within 30 minutes during business hours!

call
email
science

Identifying information of the product such as name, CAS number, structure or description

description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula
C4H3Cl2N3
Iupac Name
4,6-dichloropyrimidin-2-amine
Dtp Nci Cas Number
56-05-3
Canonical Smiles
C1=C(N=C(N=C1Cl)N)Cl
StdInChi
InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
StdInChiKey
JPZOAVGMSDSWSW-UHFFFAOYSA-N
Appearance
Not Available
Molecular Weight
163.99
Exact Mass
162.9704025
Average Mass
163.993 Da
Monoisotopic Mass
162.9704025
Boiling Point
348.5±45.0 °C at 760 mmHg
Experimental Boiling Point
348.5 °C
Experimental Melting Point
223 °C
Flash Point
164.6±28.7 °C
Density
1.6±0.1 g/cm3
Vapour Pressure
0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization
59.3±3.0 kJ/mol
Refractive Index
1.633
Molar Refractivity
36.5±0.3 cm3
Polar Surface Area
51.8 Ų
Polarizability
14.5±0.5 10-24cm3
Surface Tension
68.1±3.0 dyne/cm
Molar Volume
102.1±3.0 cm3
Experimental Logp
1.256
xLogP3AA
1.8
Acd LogP
1.40
Acd LogD Ph55
1.45
Acd Bcf Ph55
7.38
Acd Koc Ph55
145.50
Acd LogD Ph74
1.45
Acd Bcf Ph74
7.38
Acd Koc Ph74
145.50
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Heavy Atom Count
9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
3
H Bond Donors
2
Freely Rotating Bonds
0
Rule of 5 Violations
0
Formal Charge
0
Complexity
89.8
Compound is Canonicalized
Yes

Related Article(s)

Chloromethyl: compounds, synthesis and safetyJun 11, 2023

Chloromethyl: compounds, synthesis and safety

In the field of organic chemistry, a functional group known as the chloromethyl group (CH2Cl) can be found. In the formula for the methyl group (CH3), one hydrogen atom was replaced with a chlorine atom, which resulted in the creation of a new chemical entity that was subsequently given a new name.

Chlorides: Structure, primary types and applicationsAug 5, 2022

Chlorides: Structure, primary types and applications

Chlorides are the negatively charged ions formed by chlorine (Cl-). To this end, chlorides are widely defined as any material containing chlorine. This category includes chlorine salts and acids such as hydrochloric acid.

Amines: Synthesis, classification, biochemical significance, applications and hazardsJul 18, 2022

Amines: Synthesis, classification, biochemical significance, applications and hazards

Amines are the compounds that have nitrogen atoms with a lone pair. They are either gaseous when they are at room temperature or vaporized when they are heated quickly. They have a fishy smell at low molecular weight.

Chlorobenzene: Synthesis, applications and safety hazardsJun 22, 2022

Chlorobenzene: Synthesis, applications and safety hazards

Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. It is a flammable liquid that has a clear appearance and smells like almonds to some extent.it is soluble in water but at a lower temperature.