6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-one
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Basic information
- CAS
41734-98-9- Standard SMILES
O=C1CCCc2c1[nH]c1ccc(F)cc21- InChIKey
KXRCTKTUQDTGQN-UHFFFAOYSA-N- Molecular formula
- C12H10FNO
- Average molar mass
- 203.21 g/mol
- Monoisotopic mass
- 203.07464211
Names & identifiers
- Preferred name
- 6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-one
- IUPAC
- 6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one
- English name
- 6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-one
- Molecular formula
- C12H10FNO
- Molecular weight
- 203.21
Names & synonyms
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-one41734-98-9RefChem:543095822-797-16-fluoro-2,3,4,9-tetrahydrocarbazol-1-oneMFCD004593971H-Carbazol-1-one, 6-fluoro-2,3,4,9-tetrahydro-Oprea1_082641Oprea1_609779CBDivE_004253SCHEMBL4234216ALBB-024538
Show more names
STK737663AKOS000531157ST095730VS-03259CS-0214671E89231EN300-1865486-fluoro-2,3,4,9-tetrahydro-4aH-carbazol-1-one
Database identifiers
- CAS
41734-98-9- PubChem CID
- 684309
- EC Number
- 822-797-1
- Nikkaji
- J2.707.611D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 154 · 154-158 °C
- Boiling point
- 389.5 · 389.5±37.0 °C(Predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- 14.29 · 14.29±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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