9,9-BIS(4-AMINOPHENYL)FLUORENE

Iupac Name：4-[9-(4-aminophenyl)fluoren-9-yl]aniline

Molecular Weight：348.449

Modify Date.: 2022-11-22 21:16

Introduction: 9,9-bis(4-aminophenyl)fluorene be used for preparation of high-strength material and high-temperature polymers. 9,9-BIS(4-AMINOPHENYL)FLUORENESupplier View more+

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1. Names and Identifiers

1.1 Name: 9,9-BIS(4-AMINOPHENYL)FLUORENE
1.2 Synonyms: 4,4'-(9-FLUORENYLIDENE)DIANILINE 4,4-(9-Fluorenylidene)Dianiline 4,4'-(9H-Fluorene-9,9-diyl)dianiline 4,4″-(9-Fluorenylidene)dianiline 4,4'-9-Fluorenylidene)dianilane 4-[9-(4-Aminophenyl)-9H-fluoren-9-yl]phenylamine 4-[9-(4-aminophenyl)fluoren-9-yl]aniline 9,9'-BIS (4-AMINOPHENYL) FLUORENE 9,9-Bis(4-aMinophenyl)fluorene (BAFL) AKOS BBB/416 Benzenamine, 4,4'-(9H-fluoren-9-ylidene)bis- BenzenaMine,4,4'-(9H-fluoren-9-ylidene)bis- L B656 HHJ HR DZ& HR DZ MFCD00039156

1.3 CAS No.: 15499-84-0

1.4 CID: 631552

1.5 EINECS(EC#): 1312995-182-4

1.6 Molecular Formula: C25H20N2 (isomer)

1.7 Inchi: InChI=1S/C25H20N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H,26-27H2

1.8 InChkey: KIFDSGGWDIVQGN-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N

1.10 Isomers Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N

2. Properties

2.1 Density: 1.245

2.1 Melting point: 237-239℃

2.1 Boiling point: 535.2 °C at 760 mmHg

2.1 Refractive index: 1.725

2.1 Flash Point: 334.1 °C

2.1 Precise Quality: 348.16300

2.1 PSA: 52.04000

2.1 logP: 6.37650

2.1 Appearance: Not Available

2.2 Chemical Properties: White powder

2.3 pKa: 4.92±0.10(Predicted)

2.4 StorageTemp: Keep in dark place,Inert atmosphere,Room temperature

3. Use and Manufacturing

3.1 Methods of Manufacturing: 72 g of 9-fluorenone , 155.4 g of aniline hydrochloride, 10 g of sodium bisulfite, and 72 g of a 9-fluorenone, were added to the reaction apparatus equipped with a water trap.145 g of aniline and 100 g of toluene are heated to 125-130° C. under stirring, and incubated at 125-130° C. for 3 hours, and the generated water passes through. Toluene was brought to the trap. Then, the temperature was raised slowly to 145-150 for 3 hours. After the reaction is over, cool down to 95°C. At this temperature, 10percent sodium hydroxide solution was added dropwise until the pH of the feed solution was approximately , 95° C., and the mixture was neutralized for 3 hours. Thermal stratification was performed at 95° C., the aqueous layer was separated, and the upper oil layer was collected and added to the flask. Under stirring, the temperature was gradually lowered to 20 to 30°C, and the mixture was sufficiently stirred at 20 to 30°C for 1 hour to be sufficiently crystallized. filter, About 185.6g after drying. 185.6 g of 9, 9-bis(4-aminophenyl)fluorene and 300 g of xylene were added to the biscuit, 20 to 30Fully beaten at °C, filter, The product had a wet weight of 170 g, 141 g after drying, and a purity of 99.5percent (HPLC normalized content).Obtained above was 141 g of 9, 9-bis(4-aminophenyl)fluorene, 2800 g of deionized water, 49.3 g of 33percent hydrochloric acid and 28 g ofActivated carbon was added to the flask, and the temperature was raised to 65-70°C to defocus for 2 hours. Heat filtration at 70°C. Add filtrate to burnIn the bottle, add 10percent ammonia water and feed solution at pH 60 to 65°C to pH 9 to 10. Stir at 60-65°C for 3 hours.Make it fully neutralized. After the end of the neutralization, After cooling down to 20 to 30°C, filtering and drying the 130g product, the yield is 93.4percent, the appearance is pure white solid, The purity is 99.7percent.

3.2 Usage: 9,9-bis(4-aminophenyl)fluorene be used for preparation of high-strength material and high-temperature polymers. 9,9-BIS(4-AMINOPHENYL)FLUORENESupplier

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R20/21/22;R36/37

4.1 Safety Statements: S26;S36

4.1 Hazard Class: IRRITANT

4.1 Hazard Declaration: H302-H312-H319-H332-H335

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P280-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 Safety: Hazard Codes of 4,4'-(9-Fluorenylidene)dianiline (CAS NO.15499-84-0): Xn,Xi
Risk Statements: 20/21/22-36/37
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37: Irritating to eyes and respiratory system.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H319 Causes serious eye irritation H332 Harmful if inhaled H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

IR : KBr disc

IR : nujol mull

Mass

7. Synthesis Route

15499-84-0Total: 4 Synthesis Route

103-84-4 135 Suppliers

15499-84-0 112 Suppliers

Literatures:
Chemistry - A European Journal, , vol. 17, # 9 p. 2592 - 2596
Yield: null

486-25-9 256 Suppliers

15499-84-0 112 Suppliers

Literatures:
Chemistry - A European Journal, , vol. 17, # 9 p. 2592 - 2596
Yield: null

76123-68-7

15499-84-0 112 Suppliers

Literatures:
Chemistry - A European Journal, , vol. 17, # 9 p. 2592 - 2596
Yield: null

View all

8. Precursor and Product

precursor:

76123-68-7

74497-02-2

486-25-9

103-84-4

product :

474115-76-9

128406-10-0

9. Other Information

9.0 General Description: 4,4′-(9-Fluorenylidene)dianiline is a diamine.

9.1 Chemical Properties: White powder

9.2 Uses: 9,9-bis(4-aminophenyl)fluorene be used for preparation of high-strength material and high-temperature polymers.

10. Computational chemical data

Molecular Weight: 348.449g/mol
Molecular Formula: C₂₅H₂₀N₂
Compound Is Canonicalized: True
XLogP3-AA: 5.3
Exact Mass: 348.162648646
Monoisotopic Mass: 348.162648646
Complexity: 455
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 52
Heavy Atom Count: 27
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: AAADceB7AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGAAAAAAGABVAAAHAAQAAAADgiBGAAwwIBAAACAAiRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQgMAPiAAAAAAQAAAQAAAAACAAAQAACAAAAA==

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Price: 10 USD/g
Time: 2023/06/01

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