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5-bromo-2,4-dichloropyrimidine(CAS No. 36082-50-5)

5-bromo-2,4-dichloropyrimidine C4HBrCl2N2 (cas 36082-50-5) Molecular Structure

36082-50-5 Structure

Identification and Related Records

【Name】
5-bromo-2,4-dichloropyrimidine
【Iupac name】
5-bromo-2,4-dichloropyrimidine
【CAS Registry number】
36082-50-5
【Synonyms】
BUTTPARK 48\06-22
2,4-DICHLORO-5-BROMO PYRIMIDINE
TIMTEC-BB SBB003301
5-Bromo-2,4-Dichloropyridimidine
5-BROMO-2,4-DICHLOROPYRIMIDINE 99%
【Molecular Formula】
C4HBrCl2N2 (Products with the same molecular formula)
【Molecular Weight】
227.87
【Inchi】
InChI=1/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H
【Canonical SMILES】
C1=C(C(=NC(=N1)Cl)Cl)Br
【MOL File】
36082-50-5.mol

Chemical and Physical Properties

【Appearance】
light yellow solid or liquid
【Density】
1.781
【Melting Point】
29-30℃
【Boiling Point】
128℃ (15 mmHg)
【Refractive Index】
n20/D 1.603(lit.)
【Flash Point】
127.7 °C
【Solubilities】
Insoluble
【Storage temp】
Keep Cold
【Computed Properties】
Molecular Weight:227.87414 [g/mol]
Molecular Formula:C4HBrCl2N2
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:225.870016
MonoIsotopic Mass:225.870016
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Formal Charge:0
Complexity:103
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
Feature 3D Acceptor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R23/24/25;R34
【Safety Statements 】
S26;S27;S36/37/39;S45
【HazardClass】
8
【Hazard Note】

Toxic/Corrosive

【PackingGroup 】
III
【Transport】
UN 3263

Supplier Location

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Diamond member Hangzhou Dayangchem Co., Ltd.
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