2-Phenylpyrimidine-4-carbaldehyde
Basic information
- CAS
1014-07-9- Standard SMILES
O=Cc1ccnc(-c2ccccc2)n1- InChIKey
SORDGBNHSLTTHQ-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- 2-Phenylpyrimidine-4-carbaldehyde
- IUPAC
- 2-phenylpyrimidine-4-carbaldehyde
- English name
- 2-phenylpyrimidine-4-carbaldehyde
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
2-phenylpyrimidine-4-carbaldehyde1014-07-9RefChem:478231845-867-3MFCD106969952-PHENYL-4-PYRIMIDINECARBOXALDEHYDESCHEMBL18002781BAA014074-Pyrimidinecarboxaldehyde, 2-phenyl-AKOS000284258AB58738CS-16458
Show more names
SY189218DB-150367CS-0097670EN300-70208D75908F616308Z1013685156
Database identifiers
- CAS
1014-07-9- PubChem CID
- 12930867
- EC Number
- 845-867-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 245.7 · 245.7±23.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- pka
- -0.69 · -0.69±0.23(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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