Basic information
- Standard SMILES
O=C(O)C1(O)c2ccccc2-c2ccccc21- InChIKey
GXAMYUGOODKVRM-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Names & identifiers
- Preferred name
- Flurenol
- IUPAC
- 9-hydroxyfluorene-9-carboxylic acid
- English name
- 9-Hydroxy-9-fluorenecarboxylic acid
- Molecular formula
- C14H10O3
- Molecular weight
- 226.23
Names & synonyms
Show more names
Database identifiers
- CAS
467-69-6- PubChem CID
- 10087
- DTXSID
DTXSID0075029- ChEMBL
CHEMBL1452438- ChEBI
CHEBI:82015- UNII
- 4TKT65AM8P
- EC Number
- 207-397-1
- Nikkaji
- J1.537G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 162 · 162-166 °C (lit.)
- BRN
- 1314711 · 1314711
- InChI
- 1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
- InChIKey
- GXAMYUGOODKVRM-UHFFFAOYSA-N
- SMILES
- OC(=O)C1(O)c2ccccc2-c3ccccc13
- CAS DataBase Reference
- 467 · 467-69-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 TKT65AM8P · 4TKT65AM8P
- EPA Substance Registry System
- Flurenol (467-69-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Danger
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- N,Xi
- Risk Statements
- 51 · 51/53-36/37/38
- Safety Statements
- 61 · 61-36/37/39-27-26
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 6480000 · LL6480000
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29181990 · 29181990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Aquatic Chronic 2
- Toxicity
- 50 · mouse,LD50,oral,> 5gm/kg (5000mg/kg),Pesticide Manual. Vol. 9, Pg. 417, 1991.
Safety & regulation
GHS classification
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2004/129/EC
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
Regulatory information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2004/129/EC
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LL6480000
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29181990
- Toxicity
- mouse,LD50,oral,> 5gm/kg (5000mg/kg),Pesticide Manual. Vol. 9, Pg. 417, 1991.
- risk_code
- 51/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS09
- hazard_code
- N,Xi
- safety_code
- 61-36/37/39-27-26
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H411
- Hazard Classifications
- Aquatic Chronic 2
- Precautionary statements
- P273
Chemistry & industry
Uses & manufacturing
Applications
DescriptionFlurenol is a post-emergence plant growth regulator, often used in conjunction with phenoxy herbicides, to assist in the control of broadleaved weeds. It has a moderate water solubility and a low volatility. It is not usually persistent in soils or waterbodies. Very little data is available for human health but flurenol has a low oral mammalian toxicity. Limited toxicity data is available for biodiversity but data that is available is low to moderate.
Uses9-Hydroxy-9-fluorenecarboxylic acid was used in the synthesis of a hexameric organooxotin prismane.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Additional notes
DefinitionChEBI: Flurecol is a member of fluorenes.
Related reactions
Linked notes
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