9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene structure

3D Mol Similar

9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene

Iupac Name：2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate

CAS No.: 161182-73-6

Molecular Weight：546.619

Modify Date.: 2022-11-23 17:12

Request For Quotation

1. Names and Identifiers

1.1 Name: 9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene
1.2 Synonyms: (((9H-Fluorene-9,9-diyl) (((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))bis(ethane-2,1-diyl) diacrylate 2-Propenoic acid 9H-fluoren-9-ylidene-bis(4,1-phenyleneoxy-2,1-ethanediyl) ester 9,9-Bis(4-(2-acryloxyethoxy)phenyl)fluorene 9,9-BIS[4-(2-ACRYLOYLOXYETHOXY)PHENYL]FLUORENE 9,9-BIS[4-(2-ACRYLOYLOXYETHYLOXY)PHENYL]FLUORENE 9,9-Bis[4-2-Acryloloxyethoxy)phenyl] fluorene bis(4,1-phenylene)

1.3 CAS No.: 161182-73-6

1.4 CID: 17789732

1.5 Molecular Formula: C35H30O6 (isomer)

1.6 Inchi: InChI=1S/C35H30O6/c1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35/h3-20H,1-2,21-24H2

1.7 InChIkey: YCPMSWJCWKUXRH-UHFFFAOYSA-N

1.8 Canonical Smiles: C=CC(=O)OCCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCCOC(=O)C=C

1.9 Isomers Smiles: C=CC(=O)OCCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCCOC(=O)C=C

2. Properties

2.1 Density: 1.208

2.1 Boiling point: 671.3 °C at 760 mmHg

2.1 Refractive index: 1.606

2.1 Flash Point: 671.3 °C at 760 mmHg

2.1 Precise Quality: 546.20400

2.1 PSA: 71.06000

2.1 logP: 6.26570

3. Safety and Handling

3.1 Hazard Declaration: H315

3.1 Caution Statement: P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

3.1 Specification

The 9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene is an organic compound with the formula C₃₅H₃₀O₆. The systematic name of this chemical is 9H-fluorene-9,9-diylbis(benzene-4,1-diyloxyethane-2,1-diyl) bisprop-2-enoate. With the CAS registry number 161182-73-6, it is also named as 2-propenoic acid, 9H-fluoren-9-ylidenebis(4,1-phenyleneoxy-2,1-ethanediyl) ester. This chemical must be sealed in the container and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.24; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 7.24; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 14; (8)Index of Refraction: 1.606; (9)Molar Refractivity: 156 cm³; (10)Molar Volume: 452.3 cm³; (11)Polarizability: 61.84×10^-24 cm³; (12)Surface Tension: 49 dyne/cm; (13)Flash Point: 280.3 °C; (14)Enthalpy of Vaporization: 98.63 kJ/mol; (15)Boiling Point: 671.3 °C at 760 mmHg; (16)Vapour Pressure: 6.97E-18 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:C=CC(=O)OCCOc1ccc(cc1)C4(c2ccccc2c3ccccc34)c5ccc(OCCOC(=O)C=C)cc5
2. InChI:InChI=1/C35H30O6/c1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35/h3-20H,1-2,21-24H2

View all

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

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)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. 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	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. 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. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
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

View all

5. Computational chemical data

Molecular Weight: 546.619g/mol
Molecular Formula: C₃₅H₃₀O₆
Compound Is Canonicalized: True
XLogP3-AA: 7.6
Exact Mass: 546.20423867
Monoisotopic Mass: 546.20423867
Complexity: 811
Rotatable Bond Count: 14
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 71.1
Heavy Atom Count: 41
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: AAADceB8OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGAAAAAAGABVAAAGgAAAAAADgSgmAIwDoAABACIAiDSCAACCAAgIAAIiAAGCMgNJiKEMRqCOCCkwBEKqIeAwPAPoAAAAAAQAABAAAAAACAAAQAACAAAAA==

6. Recommended Suppliers

Global42SuppliersView all >>

Amitychem Corporation Diamond member

-120YR

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply 9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2023/03/01

Inquire

HuBei Ipure Biology co.,ltd Audited Suppliers

Products:chemicals
Tel:86-27-8097544

9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene 161182-73-6

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2022/03/10

Inquire

Jining Kendray Chemical Technology Co.,Ltd Audited Suppliers

Products:N,N-Diethylhydroxylamine(DEHA),N-Isopropyl Hydroxylamine(IPHA),P-Toluene Sulfonyl Chloride(PTSC),Para-Toluene Sulfonamine(PTSA),Difuoroacetic acid, (N-PTSA),N-(tert-Butyl)benzylamine
Tel:86-537-8873688

9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2020/12/25

Inquire

Hui Chem Company Limited Audited Suppliers

Products:API, Pharmaceutical intermediates, photoelectronic Materials
Tel:86-21-60542966

9,9-Bis[4-(2-acryloyloxyethoxyethoxy)

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2017/06/28

Inquire

HUANGHUA XINNUO LIXING FINE CHEMICAL STOCK CO.,LTD Audited Suppliers

Products:Bisphenol fluorene (BPF), Bis ether fluorene (BPEF),A-BPEF,Propylene oxide bisphenol fluorene (DGPEF), antioxidant HP-136,Quinoline,Isoquinoline,Phthalic Anhydride,Indole
Tel:86-21-61212665

2-Propenoic acid,1,1'-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxy-2,1-ethanediyl)] ester