Basic information
- CAS
1341487-61-3- Standard SMILES
O=C=NCC1CCOC1- InChIKey
RGWWNWXLGWYJLV-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Names & identifiers
- Preferred name
- 3-(Isocyanatomethyl)oxolane
- IUPAC
- 3-(isocyanatomethyl)oxolane
Names & synonyms
3-(isocyanatomethyl)oxolane1341487-61-3RefChem:495335852-324-4SCHEMBL29542304RDC48761AKOS012411063EN300-84974
Database identifiers
- CAS
1341487-61-3- PubChem CID
- 54595046
- EC Number
- 852-324-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P405, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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