2,3,4,5-Tetrahydro-1,5-benzoxazepine
Basic information
- CAS
7160-97-6- Standard SMILES
c1ccc2c(c1)NCCCO2- InChIKey
HYLJXJSMGIOVIK-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrahydro-1,5-benzoxazepine
- IUPAC
- 2,3,4,5-tetrahydro-1,5-benzoxazepine
- English name
- 2,3,4,5-Tetrahydro-1,5-benzoxazepine
- Molecular weight
- 0
Names & synonyms
2,3,4,5-Tetrahydro-1,5-benzoxazepine7160-97-6DTXSID00992153RefChem:441662DTXCID20905063828-742-82,3,4,5-tetrahydrobenzo[b][1,4]oxazepine1,5-Benzoxazepine, 2,3,4,5-tetrahydro-MFCD09832134SCHEMBL346720SCHEMBL870797SCHEMBL870798
Show more names
SCHEMBL935200SCHEMBL2475700SCHEMBL5750764SCHEMBL7353626HYLJXJSMGIOVIK-UHFFFAOYSA-VT1384AKOS006239785SB38426
Database identifiers
- CAS
7160-97-6- PubChem CID
- 577752
- DTXSID
DTXSID00992153- EC Number
- 828-742-8
- Nikkaji
- J131.183B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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
- P280-P305+P351+P338
Related reactions
16 records
Compound notes
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