1-isocyanato-2,3-dihydro-1H-indene
Basic information
- CAS
1224439-25-1- Standard SMILES
O=C=NC1CCc2ccccc21- InChIKey
XUEHOPNFOYAYTA-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 1-isocyanato-2,3-dihydro-1H-indene
- IUPAC
- 1-isocyanato-2,3-dihydro-1H-indene
- English name
- 1-isocyanato-2,3-dihydro-1H-indene
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
1-Isocyanato-2,3-dihydro-1H-indene26588-21-61224439-25-1DTXSID10694550RefChem:231131DTXCID60645299959-328-6SCHEMBL672099SCHEMBL3973439SCHEMBL4836608SCHEMBL8445624EN300-1845847
Show more names
1H-Indene, 2,3-dihydro-1-isocyanato-
Database identifiers
- CAS
1224439-25-1、26588-21-6- PubChem CID
- 53399129
- DTXSID
DTXSID10694550- EC Number
- 959-328-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 254.4 · 254.4±19.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P332+P317, P342+P316, P362+P364, P403, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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