2-Chloro-6-methyl-4-phenylquinazoline
Basic information
- CAS
5185-55-7- Standard SMILES
Cc1ccc2nc(Cl)nc(-c3ccccc3)c2c1- InChIKey
ZHQKTJCMHUYFNT-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0610761
Names & identifiers
- Preferred name
- 2-Chloro-6-methyl-4-phenylquinazoline
- IUPAC
- 2-chloro-6-methyl-4-phenylquinazoline
- English name
- 2-Chloro-6-methyl-4-phenyl-quinazoline
- Molecular formula
- C15H11ClN2
- Molecular weight
- 254.71
Names & synonyms
2-chloro-6-methyl-4-phenylquinazoline5185-55-72-Chloro-6-methyl-4-phenyl-quinazolineMFCD00436573F0010-0590MLS000687559CHEMBL1586283SCHEMBL13440492DTXSID80365487ZHQKTJCMHUYFNT-UHFFFAOYSA-NHMS2737H04SMSSF-0040147
Show more names
Quinazoline, 2-chloro-6-methyl-4-phenyl-
CCG-15370AKOS000638483SMR000283342SY305491VS-08834ST50243786EN300-235865F494441
Database identifiers
- CAS
5185-55-7- PubChem CID
- 1897009
- DTXSID
DTXSID80365487- ChEMBL
CHEMBL1586283
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Boiling point
- 364.6 · 364.6±40.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 0.38 · 0.38±0.30(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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