4-(Pentafluorosulfanyl)phenyl isocyanate
Basic information
- CAS
159689-43-7- Standard SMILES
O=C=Nc1ccc(S(F)(F)(F)(F)F)cc1- InChIKey
ZQIFUGCBLHVOBX-UHFFFAOYSA-N- Molecular formula
- C7H4F5NOS
- Average molar mass
- 245.17 g/mol
- Monoisotopic mass
- 244.99337573
Names & identifiers
- Preferred name
- 4-(Pentafluorosulfanyl)phenyl isocyanate
- IUPAC
- pentafluoro-(4-isocyanatophenyl)-λ6-sulfane
- English name
- 4-(Pentafluorosulfanyl)phenyl isocyanate
- Molecular formula
- C7H4F5NOS
- Molecular weight
- 245.17
Names & synonyms
159689-43-74-(Pentafluorosulfanyl)phenyl isocyanateRefChem:516592871-697-4pentafluoro-(4-isocyanatophenyl)-lambda6-sulfane1-isocyanato-4-(pentafluoro-lambda6-sulfanyl)benzenePentafluoro(4-isocyanatophenyl)-l6-sulfaneMFCD280997704-(Pentafluorosulphanyl)phenyl isocyanateSCHEMBL2243845JGA68943AKOS030230968
Show more names
Sulfur, pentafluoro(4-isocyanatophenyl)-, (OC-6-21)-
EN300-4487447
Database identifiers
- CAS
159689-43-7- PubChem CID
- 54560693
- EC Number
- 871-697-4
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 30.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 334 · H334-H331-H315-H318-H335-H312-H302
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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, P316, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS05,GHS06
- Hazard statements
- H334-H331-H315-H318-H335-H312-H302
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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