4-Isocyanatocyclopent-1-ene
Basic information
- CAS
2487-95-8- Standard SMILES
O=C=NC1CC=CC1- InChIKey
LGVOMWADJDNSQE-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 4-Isocyanatocyclopent-1-ene
- IUPAC
- 4-isocyanatocyclopentene
- English name
- 4-Isocyanatocyclopent-1-ene
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
4-isocyanatocyclopent-1-ene2487-95-8RefChem:524300990-453-94-isocyanatocyclopenteneF2163-0022AKOS015831172EN300-84912G44705F495942Cyclopentene, 4-isocyanato-
Database identifiers
- CAS
2487-95-8- PubChem CID
- 54595036
- EC Number
- 990-453-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 137
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.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P321, P330, P332+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
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
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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