Basic information
- CAS
309263-43-2- Standard SMILES
Clc1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2- InChIKey
PMTXFVMYQVXLTH-UHFFFAOYSA-N- Molecular formula
- C14H9BrClNO
- Average molar mass
- 322.58 g/mol
- Monoisotopic mass
- 320.9556
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-6-chloro-2H-1,4-benzoxazine
- IUPAC
- 3-(4-bromophenyl)-6-chloro-2H-1,4-benzoxazine
- English name
- 3-(4-Bromophenyl)-6-chloro-2H-1 4-benzo&
- Molecular formula
- C14H9BrClNO
- Molecular weight
- 322.58
Names & synonyms
309263-43-23-(4-Bromophenyl)-6-chloro-2H-1,4-benzoxazineDTXSID20511885RefChem:274423DTXCID304626922H-1,4-Benzoxazine, 3-(4-bromophenyl)-6-chloro-3-(4-BROMOPHENYL)-6-CHLORO-2H-BENZO[B][1,4]OXAZINESCHEMBL16781515PMTXFVMYQVXLTH-UHFFFAOYSA-N3-(4-Bromophenyl)-6-chloro-2H-1 4-benzo&JRH-03403, 3-(4-Bromophenyl)-6-chloro-2H-benzo[b][1,4]oxazine, 97%
Database identifiers
- CAS
309263-43-2- PubChem CID
- 12866795
- DTXSID
DTXSID20511885- Nikkaji
- J1.369.415J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 114 · 114-119 °C(lit.)
- Boiling point
- 415.5 · 415.5±45.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.20(Predicted)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Suppliers7 total
苏州诺行贸易有限公司[email protected]
广州伟伯科技有限公司[email protected]
Dr. Jagath Reddy's Heterocyclics[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…