7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Basic information
- CAS
515861-53-7- Standard SMILES
CC1CNc2ccc(F)cc2O1- InChIKey
TUCOPQDVSOYYQZ-UHFFFAOYSA-N- Molecular formula
- C9H10FNO
- Average molar mass
- 167.18 g/mol
- Monoisotopic mass
- 167.07464211
Names & identifiers
- Preferred name
- 7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
- IUPAC
- 7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
- English name
- 7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
- Molecular formula
- C9H10FNO
- Molecular weight
- 167.18
Names & synonyms
7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine515861-53-7RefChem:546420102-629-7SCHEMBL4827151SCHEMBL30991547TUCOPQDVSOYYQZ-UHFFFAOYSA-NQVA86153MFCD20441559AKOS017518700SY196576CS-0263378
Show more names
2H-1,4-Benzoxazine, 7-fluoro-3,4-dihydro-2-methyl-
EN300-86470G45740Z12589909362-methyl-7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine7-Fluoro-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
Database identifiers
- CAS
515861-53-7- PubChem CID
- 54595313
- EC Number
- 102-629-7
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 248.9 · 248.9±40.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.40(Predicted)
- 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.
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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