Basic information
- CAS
302913-31-1- Standard SMILES
Cc1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1- InChIKey
HIJGKMLIDCAGSC-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- 7-Chloro-3-(4-methylbenzyl)-4(3H)-quinazolinone
- IUPAC
- 7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
- English name
- 7-chloro-3-[(4-methylphenyl)methyl]-3,4-dihydroquinazolin-4-one
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74022
Names & synonyms
302913-31-17-CHLORO-3-(4-METHYLBENZYL)-4(3H)-QUINAZOLINONERefChem:546132658-499-17-Chloro-3-(4-methylbenzyl)quinazolin-4(3H)-one7-chloro-3-[(4-methylphenyl)methyl]-3,4-dihydroquinazolin-4-one7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-oneAKOS024327092ST50451442
Database identifiers
- CAS
302913-31-1- PubChem CID
- 853041
- EC Number
- 658-499-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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