4,6-Dichloro-2-(propan-2-yl)pyrimidine

HCID 12440902

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Basic information

CAS: 1850-98-2
Standard SMILES: CC(C)c1nc(Cl)cc(Cl)n1
InChIKey: GZRKQOQFSXBYTB-UHFFFAOYSA-N
Molecular formula: C7H8Cl2N2
Average molar mass: 191.05 g/mol
Monoisotopic mass: 190.00645362

Names & identifiers

Preferred name: 4,6-Dichloro-2-(propan-2-yl)pyrimidine
IUPAC: 4,6-dichloro-2-propan-2-ylpyrimidine
English name: 4,6-dichloro-2-(1-methylethyl)pyrimidine
Molecular formula: C7H8Cl2N2
Molecular weight: 191.06

Names & synonyms

1850-98-24,6-Dichloro-2-(propan-2-yl)pyrimidineDTXSID20498369RefChem:285779DTXCID20449179871-230-44,6-dichloro-2-isopropylpyrimidine4,6-dichloro-2-(1-methylethyl)pyrimidine4,6-dichloro-2-propan-2-ylpyrimidineMFCD11043813Pyrimidine, 4,6-dichloro-2-(1-methylethyl)-SCHEMBL1318237

Show more names

GZRKQOQFSXBYTB-UHFFFAOYSA-N4,6-dichloro-2-i-propylpyrimidineBAA850984,6-dichloro-2-isopropyl-pyrimidineAKOS0129234444,6-Dichloro-2-(iso-propyl)pyrimidineCS-36552SY305618

Database identifiers

CAS: 1850-98-2
PubChem CID: 12440902
DTXSID: DTXSID20498369
EC Number: 871-230-4

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 120

Physicochemical properties

Boiling point: 47 · 47-48 °C(Press: 0.6 Torr)
Density: 1.274 · 1.274±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
pka: -3.89 · -3.89±0.30(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501