9H-fluorene-4-carboxylic acid
Basic information
- CAS
6954-55-8- Standard SMILES
O=C(O)c1cccc2c1-c1ccccc1C2- InChIKey
WJNBLUOXTBTGMB-UHFFFAOYSA-N- Molecular formula
- C14H10O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.06807956
Overview
structure given in first source
Names & identifiers
- Preferred name
- 9H-fluorene-4-carboxylic acid
- IUPAC
- 9H-fluorene-4-carboxylic acid
- English name
- 4-Fluorenecarboxylic acid tech. 90
- Molecular formula
- C14H10O2
- Molecular weight
- 210.23
Names & synonyms
9H-Fluorene-4-carboxylic acid6954-55-8Fluorene-4-carboxylic acid2CSF7A3A4JNSC-67686DTXSID50219802RefChem:599369DTXCID60142293230-138-9MFCD000011124-FLUORENECARBOXYLIC ACID9H-Fluorene-4-carboxylicacid
Show more names
9H-Fluorene-4-carboxylicaci9H-Fluorene-4-carboxylic acid,96%4-Fluorenecarboxylic acid tech. 909-H-Fluorene-4-carboxylic acid, 99+ %4-FLUORENECARBOXYLIC ACID, TECH., 90%
NSC67686EINECS 230-138-9Fluorene-4-carboxylateMaybridge1_002107UNII-2CSF7A3A4JNCIOpen2_003297SCHEMBL503580SCHEMBL31011345
Database identifiers
- CAS
6954-55-8- PubChem CID
- 81402
- DTXSID
DTXSID50219802- UNII
- 2CSF7A3A4J
- EC Number
- 230-138-9
- Nikkaji
- J236.352F
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 286
Physicochemical properties
- Melting point
- 179 · 179-182 °C (lit.)
- Boiling point
- 307.41 °C · 307.41°C (rough estimate)
- Density
- 1.1597 · 1.1597 (rough estimate)
- refractive index
- 1.5681 · 1.5681 (estimate)
- pka
- 3.97 · 3.97±0.20(Predicted)
- Water Solubility
- Insoluble in water.
- BRN
- 2050637 · 2050637
- InChI
- 1S/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16)
- InChIKey
- WJNBLUOXTBTGMB-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cccc2Cc3ccccc3-c12
- FDA UNII
- 2 CSF7A3A4J · 2CSF7A3A4J
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
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)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37/39-27
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesFluorene-4-carboxylic acid is used in pharmaceutical industry.
General DescriptionThe structures of two phases of fluorene-4-carboxylic acid from room-temperature growths were studied.
Suppliers
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Related reactions
7 records
Compound notes
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