Benzo[b]fluoren-11-one
Basic information
- CAS
3074-03-1- Standard SMILES
O=C1c2ccccc2-c2cc3ccccc3cc21- InChIKey
MLMNDNOSVOKYMT-UHFFFAOYSA-N- Molecular formula
- C17H10O
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.07316494
Names & identifiers
- Preferred name
- Benzo[b]fluoren-11-one
- IUPAC
- benzo[b]fluoren-11-one
- English name
- 11H-Benzo[b]fluoren-11-one
- Molecular formula
- C17H10O
- Molecular weight
- 230.26
Names & synonyms
3074-03-1benzo[b]fluoren-11-oneBenzo(b)fluoren-11-oneRefChem:56515611H-benzo[b]fluoren-11-one11H-BENZO(B)FLUOREN-11-ONE11H-benzo[b]fluorene-11-oneMFCD00215960CCRIS 3167NSC113028NSC 113028NSC-113028
Show more names
1H-Benzo[b]fluoren-11-oneBenzo[b]fluoren-11-one in toluene
BRN 1960232SCHEMBL347152MLS002706498AKOS015906599AC-27917SY055851Benzo[b]fluoren-11-one; NSC 113028B3932
Database identifiers
- CAS
3074-03-1- PubChem CID
- 18311
- DTXSID
DTXSID70184760- ChEMBL
CHEMBL1725323- UNII
- 62CDC4X2T5
- EC Number
- 108-262-9
- Nikkaji
- J510.109C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 153 to · 153.0 to 157.0 °C
- Boiling point
- 431.7 · 431.7±12.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- Henry's Law Constant
- 5.4 · 5.4×104 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RTECS
- 6407000 · DF6407000
- HS Code
- 2914.39 · 2914.39.9000
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]
P264, P270, P301+P317, P330, 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
- rtecs
- DF6407000
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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