2(3H)-Benzoxazolone, 6-hydroxy-
Basic information
- CAS
78213-03-3- Standard SMILES
O=c1[nH]c2ccc(O)cc2o1- InChIKey
XIYXDPMPFOQCFW-UHFFFAOYSA-N- Molecular formula
- C7H5NO3
- Average molar mass
- 151.12 g/mol
- Monoisotopic mass
- 151.02694302
Overview
2(3H)-Benzoxazolone, 6-hydroxy- has been reported in Acanthus ilicifolius with data available.
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 6-hydroxy-
- IUPAC
- 6-hydroxy-3H-1,3-benzoxazol-2-one
- English name
- 6-Hydroxy-2-benzoxazolinone 97
- Molecular formula
- C7H5NO3
- Molecular weight
- 151.12
Names & synonyms
78213-03-36-Hydroxy-2-benzoxazolinone2(3H)-Benzoxazolone, 6-hydroxy-DTXSID70228855RefChem:439858DTXCID20151346625-364-36-HYDROXYBENZO[D]OXAZOL-2(3H)-ONE6-hydroxy-3H-1,3-benzoxazol-2-one6-Hydroxy-2(3H)-benzoxazolone2(3H)-Benzoxazolone,6-hydroxy-6-Hydroxy-1,3-benzoxazol-2(3H)-one
Show more names
C1=CC2=C(C=C1O)OC(=O)N26-Hydroxy benzoxazol-2-one6-Hydroxy-2-benzoxazolinone 976-Hydroxy-2-benzoxazolinone 97%6-Hydroxy-2,3-dihydrobenzoxazol-2-oneJRH-07615, 6-Hydroxybenzo[d]oxazol-2(3H)-one, 97%6-Hydroxy-2-benzoxazolinone,6-Hydroxy-2(3H)-benzoxazolone
NSC603719Benzo[d]oxazole-2,6-diolMFCD073697676-hydroxybenzoxazolin-2(3h)-oneNCIMech_0001076-hydroxy-2-benz-oxazolinoneSCHEMBL241569CHEMBL2003971
Database identifiers
- CAS
78213-03-3- PubChem CID
- 157167
- DTXSID
DTXSID70228855- ChEMBL
CHEMBL2003971- EC Number
- 625-364-3
- Nikkaji
- J616.601F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.70(Predicted)
- form
- solid
- InChI
- InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
- InChIKey
- XIYXDPMPFOQCFW-UHFFFAOYSA-N
- SMILES
- O1C2=CC(O)=CC=C2NC1=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses6-HYDROXY-2-BENZOXAZOLINONE is a useful research chemical.
Related reactions
7 records
Compound notes
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