2,3,4,5-Tetrahydro-1,5-benzoxazepine

HCID 577752CAS 7160-97-6

Substructure search Find similar structures

Basic information

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 Å²
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

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.