Basic information
- CAS
1915-77-1- Standard SMILES
Cc1c(Cl)cccc1-n1c(C)nc2ccccc2c1=O- InChIKey
MCCICLHYQKULJG-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
- IUPAC
- 3-(3-chloro-2-methylphenyl)-2-methylquinazolin-4-one
- English name
- 3-(3-Chloro-o-tolyl)-2-methyl-4(3H)-quinazolone
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74
Names & synonyms
1915-77-14(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-DTXSID20172672RefChem:1069129DTXCID10951633-(3-Chloro-2-methylphenyl)-2-methylquinazolin-4(3H)-one3-(3-Chloro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone3-(3-chloro-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-oneB 108NSC 103886BRN 08887993-(3-Chloro-o-tolyl)-2-methyl-4(3H)-quinazolinone
Show more names
3-(3-Chloro-o-tolyl)-2-methyl-4(3H)-quinazolone
4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-methyl-2-Methyl-3-(3'-chlor-2'-methylphenyl)chinazolinon-(4) [German]B-108NCIOpen2_0071342-Methyl-3-(3'-chlor-2'-methylphenyl)chinazolinon-(4)MCCICLHYQKULJG-UHFFFAOYSA-NNSC103886AKOS024333294
Database identifiers
- CAS
1915-77-1- PubChem CID
- 63201
- DTXSID
DTXSID20172672
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Melting point
- 143 · 143-145 °C
- Boiling point
- 447.3 · 447.3±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 2.07 · 2.07±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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