Basic information
- Standard SMILES
O=C(O)C1c2ccccc2-c2ccccc21- InChIKey
DNVJGJUGFFYUPT-UHFFFAOYSA-N- Molecular formula
- C14H10O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.06807956
Names & identifiers
- Preferred name
- 9-Carboxyfluorene
- IUPAC
- 9H-fluorene-9-carboxylic acid
- English name
- 9-Carboxyfluorene
- Molecular formula
- C14H10O2
- Molecular weight
- 210.23
Names & synonyms
9H-Fluorene-9-carboxylic acid1989-33-99-CarboxyfluoreneFluorene-9-carboxylic acidM65BW232U5NSC 5322NSC-5322EINECS 217-866-2DTXSID6062098RefChem:549291DTXCID1036179217-866-2
Show more names
AKOS AUF02021FOR INDECAINIDE9-Carboxyfluorenuorene-9-carboxyL9-Fluorenoic acidRARECHEM AQ BD 0BA19-Fluorenecarboxylic
9-Fluorenecarboxylic acidMFCD00001136Diphenyleneacetic AcidCHEMBL2953219H-Fluorene-9-carboxylicacidEnamine_0030819-fluorenylcarboxylic acid9-fluorene carboxylic acid
Database identifiers
- CAS
1989-33-9- PubChem CID
- 74809
- DTXSID
DTXSID6062098- ChEMBL
CHEMBL295321- UNII
- M65BW232U5
- EC Number
- 217-866-2
- Nikkaji
- J199.805F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
LogP2.8
Physicochemical properties
- Melting point
- 228 · 228-231 °C(lit.)
- Boiling point
- 309.75 °C · 309.75°C (rough estimate)
- Density
- 1.1307 · 1.1307 (rough estimate)
- refractive index
- 1.5681 · 1.5681 (estimate)
- Flash point
- 230 °C · 230°C
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.59 · 4.59±0.20(Predicted)
- form
- powder
- color
- Faint beige
- Water Solubility
- insoluble
- BRN
- 1911728 · 1911728
- InChI
- InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
- InChIKey
- DNVJGJUGFFYUPT-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)C2=C(C=CC=C2)C2=C1C=CC=C2
- CAS DataBase Reference
- 1989 · 1989-33-9(CAS DataBase Reference)
- FDA UNII
- 65 BW232U5 · M65BW232U5
- NIST Chemistry Reference
- 9 H-fluorene-9-carboxylic · 9H-fluorene-9-carboxylic acid(1989-33-9)
- EPA Substance Registry System
- 9 H-Fluorene-9-carboxylic · 9H-Fluorene-9-carboxylic acid (1989-33-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36/37/39-27-26
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29163900 · 29163900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Regulatory Information9H-Fluorene-9-carboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29163900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36/37/39-27-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9H-Fluorene-9-carboxylic acid: ACTIVE
Applications
Uses9H-Fluorene-9-carboxylic Acid, is a building block in the synthesis of various pharmaceutical and biologically active compounds. It is used in the synthesis of Lomitapide, a drug for the treatment of familial hypercholesterolemia.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
湖北瑞凯兴科技股份有限公司0086-13795397680
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Related reactions
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