Basic information
- CAS
119095-00-0- Standard SMILES
CN1CCOc2cc(O)ccc21- InChIKey
HQPAKPUZWRXNQS-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
- IUPAC
- 4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
Names & synonyms
119095-00-04-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-olRefChem:525183877-460-14-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-olSCHEMBL3330747SCHEMBL28139537HQPAKPUZWRXNQS-UHFFFAOYSA-NEN300-3214263
Database identifiers
- CAS
119095-00-0- PubChem CID
- 68599267
- EC Number
- 877-460-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
12 records
Compound notes
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