Basic information
- CAS
109292-88-8- Standard SMILES
N#Cc1cc(Cl)cc(C#N)c1- InChIKey
ZHOVALSFPCDZLE-UHFFFAOYSA-N- Molecular formula
- C8H3ClN2
- Average molar mass
- 162.57 g/mol
- Monoisotopic mass
- 161.9984758
Names & identifiers
- Preferred name
- 5-Chloroisophthalonitrile
- IUPAC
- 5-chlorobenzene-1,3-dicarbonitrile
- English name
- 5-chloroisophthalonitrile
- Molecular formula
- C8H3ClN2
- Molecular weight
- 162.58
Names & synonyms
5-Chloroisophthalonitrile109292-88-85-CHLOROBENZENE-1,3-DICARBONITRILEMFCD279595391,3-Benzenedicarbonitrile, 5-chloro-3-chloroisophthalonitrileSCHEMBL5852713SCHEMBL9176392SCHEMBL10332556DTXSID001028291AC2887AKOS027256688
Show more names
5-chloro-1,3-Benzenedicarbonitrile
SY028648DB-242336CS-0450917NS00067220
Database identifiers
- CAS
109292-88-8- PubChem CID
- 22015754
- DTXSID
DTXSID001028291- Nikkaji
- J1.766.519G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- HS Code
- 2926907090 · 2926907090
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
- 2926907090
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Suppliers4 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Richest Group Ltd18017061086 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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