9-Hydroxy-9-fluorenecarboxylic acid
- Iupac Name：9-hydroxyfluorene-9-carboxylic acid
- CAS No.: 467-69-6
- Molecular Weight：226.2274
- Modify Date.: 2022-11-29 12:00
- Introduction:
Flurecol is a member of fluorenes.
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1. Names and Identifiers
- 1.1 Name
- 9-Hydroxy-9-fluorenecarboxylic acid
- 1.2 Synonyms
9H-Fluorene-9-carboxylic acid, 9-hydroxy- 9-HYDROXY-9-FLUORENE CARBOXYLI ACID 9-Hydroxy-9-fluorene carboxylic acid 9-Hydroxy-9-Fluororenecarboxylic Acid 9-Hydroxy-9H-fluorene-9-carboxylic acid 9-hydroxy-fluorene-9-acid 9-hydroxyfluorene-9-carboxylic acid EINECS 207-397-1 flurecol FLURENOL FLURENOL PESTANAL FLURENOL PESTANAL (9-HYDROXYFLUORENE9-CA MFCD00001137
- 1.3 CAS No.
- 467-69-6
- 1.4 CID
- 10087
- 1.5 EINECS(EC#)
- 207-397-1
- 1.6 Molecular Formula
- C14H10O3 (isomer)
- 1.7 Inchi
- 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)
- 1.8 InChkey
- GXAMYUGOODKVRM-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
- 1.10 Isomers Smiles
- C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
2. Properties
- 2.1 Density
- 1.45
- 2.1 Melting point
- 164-166℃
- 2.1 Boiling point
- 490.5 °C at 760 mmHg
- 2.1 Refractive index
- 1.717
- 2.1 Flash Point
- 264.6 °C
- 2.1 Precise Quality
- 226.06300
- 2.1 PSA
- 57.53000
- 2.1 logP
- 1.98750
- 2.1 Appearance
- off-white crystalline powder
- 2.2 Storage
- Ambient temperatures.
- 2.3 Water Solubility
- 0.01 M
- 2.4 Stability
- Stable under normal temperatures and pressures.
- 2.5 StorageTemp
- Store in a cool, dry place. Keep container closed when not in use.
3. Use and Manufacturing
- 3.1 Usage
- Plant growth regulator.
4. Safety and Handling
- 4.1 Symbol
- GHS09
- 4.1 Hazard Codes
- N
- 4.1 Risk Statements
- R51/53
- 4.1 Safety Statements
- S61
- 4.1 Packing Group
- III
- 4.1 Hazard Class
- 9
- 4.1 Hazard Declaration
- H411
- 4.1 RIDADR
- UN 3082
- 4.1 Caution Statement
- P273
- 4.1 WGK Germany
- 2
- 4.1 RTECS
- LL6480000
- 4.1 Safety
-
Safety Information of Flurecol (CAS NO.467-69-6):
Hazard Codes: N
,Xi
Risk Statements: 51/53-36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
51: Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements: 61-36/37/39-27-26
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3082 9/PG 3
WGK Germany: 2
RTECS: LL6480000
HazardClass: 9
PackingGroup: III
- 4.2 Specification
-
Flurecol , its CAS NO. is 467-69-6, the synonyms are 3-10-00-01251 (Beilstein Handbook Reference) ; 9-Hydooxyfluorene-9-carboxylic acid ; BRN 1314711 ; EINECS 207-397-1 ; Glycolic acid, diphenylene- ; NSC 97576 .
- 4.3 Toxicity
-
| Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
| mouse |
LD50 |
oral |
> 5gm/kg (5000mg/kg) |
|
Pesticide Manual. Vol. 9, Pg. 417, 1991. |
| rat |
LD50 |
oral |
> 10gm/kg (10000mg/kg) |
|
Pesticide Manual. Vol. 9, Pg. 417, 1991. |
| rat |
LD50 |
skin |
> 10gm/kg (10000mg/kg) |
|
Pesticide Manual. Vol. 9, Pg. 417, 1991. |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | No signal word. |
| Hazard statement(s) | H411 Toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P273 Avoid release to the environment. |
| Response | P391 Collect spillage. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
467-69-6Total: 14 Synthesis Route
8. Other Information
- 8.0 BRN
- 1314711
- 8.1 Uses
-
9-Hydroxy-9-fluorenecarboxylic acid was used in the synthesis of a hexameric organooxotin prismane.
- 8.2 Manufacturing Info
- 9H-Fluorene-9-carboxylic acid, 9-hydroxy-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
- 8.3 Use Classification
- Agrochemicals -> Herbicides
9. Computational chemical data
- Molecular Weight: 226.2274g/mol
- Molecular Formula: C14H10O3
- Compound Is Canonicalized: True
- XLogP3-AA: 2
- Exact Mass: 226.062994177
- Monoisotopic Mass: 226.062994177
- Complexity: 303
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 57.5
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGgAACAAADESAmAAwCIAAAgCIAiDSCAICAAAgAAAIiAFACIgJJjKAFRCAcAAkwAEJmAeIyPCOgAAAAAAQAAAAAAAAACAAAYAADAAAAA==
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