Isatin-3-oxime
Basic information
- CAS
607-28-3- Standard SMILES
O=Nc1c(O)[nH]c2ccccc12- InChIKey
LNMAXZZQNSPQSR-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Overview
See also: Isatin beta-oxime (annotation moved to).
Names & identifiers
- Preferred name
- Isatin-3-oxime
- IUPAC
- 3-nitroso-1H-indol-2-ol
- English name
- ISATIN-3-OXIME
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
Isatin-3-oxime607-28-33-(Hydroxyimino)indolin-2-one1H-Indole-2,3-dione, 3-oxime1H-indole-2,3-dione 3-oximeIsatin beta-oximebeta-Isatoxime3-Oximeindole-2,3-dione(3E)-1H-indole-2,3-dione 3-oximeIsatin-O3-Hydroxyiminoindolin-2-oneIndole-2,3-dione, 3-oxime
Show more names
á-isatoximeIsatinO,Isatin OISATIN-BETA-OXIMEIsatin-3-oxime,97%beta-Isatoxime [for Metal Analysis]
(3Z)-1H-Indole-2,3-dione 3-oximeIndole-2,3-dione Oxime3-nitroso-1H-indol-2-ol(E)-3-(hydroxyimino)indolin-2-one(Z)-3-(hydroxyimino)indolin-2-oneMFCD0001456873859-64-03-(Hydroxyimino)-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
607-28-3- PubChem CID
- 69084
- DTXSID
DTXSID30209509- ChEMBL
CHEMBL375079- Nikkaji
- J3.794.750D、J9.456K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 228 °C · 228°C (dec.)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.20(Predicted)
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- BRN
- 136198 · 136198
- CAS DataBase Reference
- 607 · 607-28-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Safety Statements
- 22 · 22-24/25
- RTECS
- 7980000 · NL7980000
- HS Code
- 2933.99 · 2933.99.8210
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- NL7980000
- hs_code
- 2933.99.8210
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H411-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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