3-Pyrimidin-2-ylphenyl isocyanate

Modify Date: 2025-09-11 14:43:43

3-Pyrimidin-2-ylphenyl isocyanate Structure
3-Pyrimidin-2-ylphenyl isocyanate structure
Common Name 3-Pyrimidin-2-ylphenyl isocyanate
CAS Number 898289-49-1 Molecular Weight 197.19300
Density 1.2g/cm3 Boiling Point 262.2ºC at 760 mmHg
Molecular Formula C11H7N3O Melting Point 45-47ºC
MSDS USA Flash Point 112.4ºC

 Names

Name 2-(3-isocyanatophenyl)pyrimidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2g/cm3
Boiling Point 262.2ºC at 760 mmHg
Melting Point 45-47ºC
Molecular Formula C11H7N3O
Molecular Weight 197.19300
Flash Point 112.4ºC
Exact Mass 197.05900
PSA 55.21000
LogP 2.11090
Index of Refraction 1.627
InChIKey VGMYIDBUDGAIPE-UHFFFAOYSA-N
SMILES O=C=Nc1cccc(-c2ncccn2)c1

 Safety Information

Hazard Codes C,Xn
Risk Phrases 22

 Synonyms

Pyrimidine,2-(3-isocyanatophenyl)
3-pyrimidin-2-ylbenzenisocyanate
3-Pyrimidin-2-ylphenyl isocyanate
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