Basic information
- CAS
165459-70-1- Standard SMILES
[C-]#[N+]c1ccc2c(c1)OCO2- InChIKey
WUKXVUFHYLHUEA-UHFFFAOYSA-N- Molecular formula
- C8H5NO2
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.0320284
Names & identifiers
- Preferred name
- 5-Isocyano-1,3-dioxaindane
- IUPAC
- 5-isocyano-1,3-benzodioxole
- English name
- 1,3-Benzodioxole,5-isocyano-(9CI)
- Molecular formula
- C8H5NO2
- Molecular weight
- 147.13
Names & synonyms
165459-70-15-isocyano-1,3-dioxaindaneRefChem:536464987-307-15-isocyano-2H-1,3-benzodioxole5-isocyano-1,3-benzodioxole1,3-Benzodioxole,5-isocyano-(9CI)5-Isocyanobenzo[d][1,3]dioxoleSCHEMBL6837714SCHEMBL299533681,3-Benzodioxole, 5-isocyano-QGA45970
Show more names
SBB0793673,4-(Methylenedioxy)phenyl-isocyanideAKOS006292039GS-03462H-benzo[d]1,3-dioxolen-5-isocyanideDB-278885EN300-111030
Database identifiers
- CAS
165459-70-1- PubChem CID
- 449773
- EC Number
- 987-307-1
- Nikkaji
- J1.821.928J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 22.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 196
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, 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 CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers4 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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