5-Nitroisophthaloyl chloride
Basic information
- CAS
13438-30-7- Standard SMILES
O=C(Cl)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1- InChIKey
OHIVUAREQFICPK-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2NO4
- Average molar mass
- 248.02 g/mol
- Monoisotopic mass
- 246.943913
Names & identifiers
- Preferred name
- 5-Nitroisophthaloyl chloride
- IUPAC
- 5-nitrobenzene-1,3-dicarbonyl chloride
- English name
- 5-nitroisophthaloyl chloride
- Molecular formula
- C8H3Cl2NO4
- Molecular weight
- 0
Names & synonyms
5-Nitroisophthaloyl chloride13438-30-75-nitrobenzene-1,3-dicarbonyl chloride5-nitro-1,3-benzenedicarbonyl dichloride1,3-Benzenedicarbonyldichloride, 5-nitro-5-Nitroisophthaloyl dichloride1,3-Benzenedicarbonyl dichloride, 5-nitro-1,3-BENZENEDICARBONYL DICHLORIDE,5-NITROEINECS 236-575-15-Nitroisopthaloyl chlorideGK5QV82UE85-NITROBENZENE-1,3-DICARBONYL DICHLORIDE
Show more names
5-Nitroisophthalic acid dichloride5-nitrobenzene-1，3-dicarbonyl chloride
SCHEMBL7287575-Nitroisophthaloyl dichloride #DTXSID901586805-nitro-isophthalic acid dichloride5-nitro-1,3-benzenedicarbonylchloride5-nitro-1,3-benzenedicarbonyl chlorideAS-76315DB-124052
Database identifiers
- CAS
13438-30-7- PubChem CID
- 83451
- DTXSID
DTXSID90158680- UNII
- GK5QV82UE8
- EC Number
- 236-575-1
- Nikkaji
- J28.753I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
11 records
Compound notes
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