6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione
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Basic information
- CAS
116027-10-2- Standard SMILES
O=c1[nH]c2ccc(I)cc2c(=O)o1- InChIKey
JHQFCSRQZPCIHR-UHFFFAOYSA-N- Molecular formula
- C8H4INO3
- Average molar mass
- 289.03 g/mol
- Monoisotopic mass
- 288.92359099
Names & identifiers
- Preferred name
- 6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione
- IUPAC
- 6-iodo-1H-3,1-benzoxazine-2,4-dione
- English name
- 6-Iodoisatoic anhydride
- Molecular formula
- C8H4INO3
- Molecular weight
- 289.03
Names & synonyms
116027-10-26-iodo-2H-3,1-benzoxazine-2,4(1H)-dioneJHQFCSRQZPCIHR-UHFFFAOYSA-DTXSID40303860RefChem:308640DTXCID70254992InChI=1/C8H4INO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)6-iodo-1H-3,1-benzoxazine-2,4-dione6-iodo-1H-benzo[d][1,3]oxazine-2,4-dione6-iodoisatoic anhydrideMFCD066619325-Iodoisatoic Anhydride
Show more names
Albb-0087866-iodo-1H-3,1-benzoxazine-2,4-quinone6-iodo-2H-3,1-benzenebenzoazine-2,4(1H)-dione
6-iodo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione2H-3,1-Benzoxazine-2,4(1H)-dione, 6-iodo-6-iodo-2H-benzo[d][1,3]oxazine-2,4(1H)-dione6-Iodo-2H-3,1-benzoxazin-2,4(1H)-dioneNSC163036SCHEMBL3132671SCHEMBL31460362JHQFCSRQZPCIHR-UHFFFAOYSA-N
Database identifiers
- CAS
116027-10-2- PubChem CID
- 294480
- DTXSID
DTXSID40303860- Nikkaji
- J1.366.560E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 260 °C · >260 °C
- Density
- 2.088 · 2.088±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 9.94 · 9.94±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
11 records
Compound notes
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