Basic information
- CAS
27861-40-1- Standard SMILES
O=[N+]([O-])C=C1CCCC1- InChIKey
FCFLHKHBKPPQQY-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Overview
Aromatic heterocycle containing a nitromethylene substituent. Fast acting neurotoxicant, effective both by contact or oral ingestion; they are relatively safe to vertebrates and degrade rapidly in the environment. (T10)
Names & identifiers
- Preferred name
- Nitro-methylene-cyclopentane
- IUPAC
- nitromethylidenecyclopentane
Names & synonyms
(Nitromethylidene)cyclopentane(nitromethylene)cyclopentanenitro-methylene-cyclopentane27861-40-1DTXSID60897079nitromethylidenecyclopentaneRefChem:365709DTXCID801326510Cyclopentane, (nitromethylene)-NS00075489EN300-725165
Database identifiers
- CAS
27861-40-1- PubChem CID
- 520353
- DTXSID
DTXSID60897079- Nikkaji
- J1.495.403A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Health EffectsNitromethylenes are neurotoxic. (T10)
Toxicity SummaryActs as a neurotransmitter mimic , having both excitatory and depressant effects, eventually blocking postsynaptic nicotinic receptors. (T10)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Uses & manufacturing
UsesNitromethylenes are used as pesticides. (T10)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…