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9-Anthracenylmethyl methacrylate structure
9-Anthracenylmethyl methacrylate structure

9-Anthracenylmethyl methacrylate

Iupac Name:anthracen-9-ylmethyl 2-methylprop-2-enoate
CAS No.: 31645-35-9
Molecular Weight:276.335
Modify Date.: 2022-11-23 02:45
Introduction: A fluorescent copolymer 9-Anthracenylmethyl methacrylateSupplier View more+
1. Names and Identifiers
1.1 Name
9-Anthracenylmethyl methacrylate
1.2 Synonyms

(9-ANTHRYL) METHACRYLATE 2-Methyl-2-propenoic Acid 9-AnthrylMethyl Ester 2-Propenoic acid, 2-methyl-, 9-anthracenylmethyl ester 9-(Methacryloyloxymethyl)anthracene 9-ANTHRACENE METHYL METHACRYLATE 9-Anthracenemethanol, methacrylate 9-ANTHRACENYLMETHYL METHACRYLATE 9-Anthrylmethyl Methacrylate ANMA Methacrylic Acid 9-Anthrylmethyl Ester Methacrylic acid, 9-anthrylmethyl ester POLY(9-ANTHRACENYLMETHYL METHACRYLATE) POLYFLUOR(R) 407

1.3 CAS No.
31645-35-9
1.4 CID
3618754
1.5 Molecular Formula
C19H16O2 (isomer)
1.6 Inchi
InChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3
1.7 InChkey
MJYSISMEPNOHEG-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31
1.9 Isomers Smiles
CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31
2. Properties
3.1 Density
1.159
3.1 Melting point
80-85℃
3.1 Boiling point
443 °C at 760 mmHg
3.1 Refractive index
1.647
3.1 Flash Point
443 °C at 760 mmHg
3.1 Precise Quality
276.11500
3.1 PSA
26.30000
3.1 logP
4.61230
3.1 Λmax
249nm
3.2 Appearance
pale yellow crystals
3.3 Chemical Properties
Pale Yellow Crystals
3.4 StorageTemp
Keep Cold
3. Use and Manufacturing
4.1 Usage
A fluorescent copolymer 9-Anthracenylmethyl methacrylateSupplier
4. Safety and Handling
5.1 Hazard Codes
Xi
5.1 Risk Statements
R41
5.1 Safety Statements
S25;S26;S36/39
5.1 Hazard Declaration
H318
5.1 RIDADR
NONH for all modes of transport
5.1 Caution Statement
P280-P305 + P351 + P338
5.1 WGK Germany
3
5.1 Specification

The 9-Anthracenylmethyl methacrylate, with the CAS registry number 31645-35-9, is also known as 2-Propenoic acid, 2-methyl-, 9-anthracenylmethyl ester. It belongs to the product categories of Aromatics Compounds; Aromatics; Fluorescent Labels & Indicators; Photoluminescent Materials > Fluorescent Polymers; Photonic and Optical Materials; C12 to C63Photonic and Optical Materials; Carbonyl Compounds; Esters; Photoluminescent Materials > Fluorescent Monomers. This chemical's molecular formula is C19H16O2 and formula weight is 276.33. What's more, its systematic name is called anthracen-9-ylmethyl 2-methylprop-2-enoate. This chemical which can be used as fluorescent copolymer is pale yellow crystals.

Physical properties of 9-Anthracenylmethyl methacrylate: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6101.82; (6)ACD/BCF (pH 7.4): 6101.82; (7)ACD/KOC (pH 5.5): 17832.96; (8)ACD/KOC (pH 7.4): 17832.96; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 86.72 cm3; (13)Molar Volume: 238.3 cm3; (14)Surface Tension: 45.9 dyne/cm; (15)Density: 1.159 g/cm3; (16)Flash Point: 286.4 °C; (17)Enthalpy of Vaporization: 70.06 kJ/mol; (18)Boiling Point: 443 °C at 760 mmHg; (19)Vapour Pressure: 4.78E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may catch fire in contact with air which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc2c3c(cc1c2cccc1)cccc3)\C(=C)C
(2)InChI: InChI=1/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3
(3)InChIKey: MJYSISMEPNOHEG-UHFFFAOYAX

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

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

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.

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.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Precursor and Product
8. Computational chemical data
  • Molecular Weight: 276.335g/mol
  • Molecular Formula: C19H16O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 5.1
  • Exact Mass: 276.115029749
  • Monoisotopic Mass: 276.115029749
  • Complexity: 378
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 26.3
  • Heavy Atom Count: 21
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgAAAAAADACgmAIyCMAABACIAiDSCAACAAAgAAAIiAEACMgIJiKAMRiCMAAkwAEIqIeAwOAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==
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10. Realated Product Infomation