2-(3-Methylphenyl)pyrimidine-5-carbaldehyde
Basic information
- CAS
915921-67-4- Standard SMILES
Cc1cccc(-c2ncc(C=O)cn2)c1- InChIKey
CMYMYMDKEWWXKA-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- 2-(3-Methylphenyl)pyrimidine-5-carbaldehyde
- IUPAC
- 2-(3-methylphenyl)pyrimidine-5-carbaldehyde
- English name
- ASISCHEM C63565
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
2-(3-methylphenyl)pyrimidine-5-carbaldehyde915921-67-42-(m-Tolyl)pyrimidine-5-carbaldehydeMFCD080598442-m-Tolyl-pyrimidine-5-carbaldehyde2-(3-methylphenyl)-5-pyrimidinecarbaldehyde2-(3-Methylphenyl)-5-pyrimidinecarboxaldehydeDTXSID601251494AKOS000283971NM57435SB55546BS-38871
Show more names
ASISCHEM C63565CHEMBRDG-BB 40117695-Pyrimidinecarboxaldehyde, 2-(3-methylphenyl)-
CS-0313805G85098F061011
Database identifiers
- CAS
915921-67-4- PubChem CID
- 17606304
- DTXSID
DTXSID601251494
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
- 15
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 270.7 · 270.7±33.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- -0.45 · -0.45±0.42(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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