9H-Fluoren-9-yl isocyanate
Basic information
- CAS
131056-82-1- Standard SMILES
O=C=NC1c2ccccc2-c2ccccc21- InChIKey
ZCUDVRDYVSFUTC-UHFFFAOYSA-N- Molecular formula
- C14H9NO
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.06841391
Names & identifiers
- Preferred name
- 9H-Fluoren-9-yl isocyanate
- IUPAC
- 9-isocyanato-9H-fluorene
- English name
- 9H-Fluoren-9-yl isocyanate 95
- Molecular formula
- C14H9NO
- Molecular weight
- 207.23
Names & synonyms
9H-Fluoren-9-yl isocyanate131056-82-1DTXSID60394896RefChem:313455DTXCID50345756624-474-99-isocyanato-9H-fluorene9H-Fluorene, 9-isocyanato-SCHEMBL3837050SCHEMBL296488669H-Fluoren-9-yl isocyanate, 95%9H-FLUOREN-9-YL ISOCYANATE 95
Show more names
9H-Fluoren-9-yl isocyanate 959H-Fluorene,9-isocyanato-(9CI)
BP-12445DB-085007EN300-2006623
Database identifiers
- CAS
131056-82-1- PubChem CID
- 3673441
- DTXSID
DTXSID60394896- EC Number
- 624-474-9
- Nikkaji
- J2.765.993D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 44 · 44-46 °C(lit.)
- Boiling point
- 355.8 · 355.8±31.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H334-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P342+P311
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-26-36
- WGK Germany
- 3 · 3
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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-26-36
- Hazard statements
- H302-H312-H315-H319-H332-H334-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P342+P311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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