Basic information
- CAS
740842-71-1- Standard SMILES
Brc1ccc2c(c1)CNCCO2- InChIKey
HGCKDXTZHNPNKK-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO
- Average molar mass
- 228.09 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine
- IUPAC
- 7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine
- English name
- 7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
- Molecular formula
- C9H10BrNO
- Molecular weight
- 228.09
Names & synonyms
740842-71-17-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepineMFCD16991117SCHEMBL2983125SCHEMBL30644265HGCKDXTZHNPNKK-UHFFFAOYSA-NALBB-032590AKOS015156004SY045176DB-369471CS-0268058
Show more names
1,4-Benzoxazepine, 7-bromo-2,3,4,5-tetrahydro-
7-Bromo-2345-tetrahydrobenzo[f][14]oxazepineEN300-203946F83410F678273F1907-0690
Database identifiers
- CAS
740842-71-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 311.1 · 311.1±42.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.09 · 8.09±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
武汉青风凯默生物医药科技有限公司18672943286 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…