2,4-Dichloro-6-phenylpyrimidine

HCID 241554

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Basic information

CAS: 26032-72-4
Standard SMILES: Clc1cc(-c2ccccc2)nc(Cl)n1
InChIKey: VRNSMZDBMUSIFT-UHFFFAOYSA-N
Molecular formula: C10H6Cl2N2
Average molar mass: 225.07 g/mol
Monoisotopic mass: 223.99080355

Names & identifiers

Preferred name: 2,4-Dichloro-6-phenylpyrimidine
IUPAC: 2,4-dichloro-6-phenylpyrimidine
English name: 2,4-dichloro-6-phenylpyrimidine
Molecular formula: C10H6Cl2N2
Molecular weight: 225.07

Names & synonyms

2,4-dichloro-6-phenylpyrimidineDTXSID50287122RefChem:443368DTXCID50238270833-807-926032-72-4Pyrimidine, 2,4-dichloro-6-phenyl-2,4-dichloro-6-phenyl-pyrimidineMFCD00234591NSC49018SCHEMBL4139076-phenyl-2,4-dichloropyrimidine

Show more names

NSC 49018PyriMidine,2,4-dichloro-6-phenyl-

NSC-49018AKOS015051420DS-17816SY023851CS-0130264D5505EN300-254444Pyrimidine, 2,4-dich

Database identifiers

CAS: 26032-72-4
PubChem CID: 241554
DTXSID: DTXSID50287122
EC Number: 833-807-9
Nikkaji: J270.674A

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 92 · 92-93℃
Boiling point: 361.2 · 361.2±22.0 °C(Predicted)
Density: 1.363 · 1.363±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: -3.45 · -3.45±0.30(Predicted)
color: White to Light yellow
CAS DataBase Reference: 26032 · 26032-72-4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933.59 · 2933.59.9500

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.