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Chemical Product CAS:131-54-4Bis(2-hydroxy-4-methoxyphenyl)methanone

CAS:131-54-4
Bis(2-hydroxy-4-methoxyphenyl)methanone

  • CAS No:

    131-54-4
  • Name:

    Bis(2-hydroxy-4-methoxyphenyl)methanone
  • Molecular Formula:

    C15H14O5
  • Molecular Weight:

    274.27
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Bis(2-hydroxy-4-methoxyphenyl)methanone ( CASNO:131-54-4 )

Identification and Related Records
Name:
Bis(2-hydroxy-4-methoxyphenyl)methanone
CAS Registry number:
131-54-4
Iupac name:
bis(2-hydroxy-4-methoxyphenyl)methanone
Synonyms:
Benzophenone,2,2'-dihydroxy-4,4'-dimethoxy- (6CI,8CI)
4,4'-Dimethoxy-2,2'-dihydroxybenzophenone
Benzophenone 6
Cyasorb UV 12
NSC 40149
Seesorb 107
Uvinul 3049
Uvinul D 49
EINECS(EC#):
205-027-3
Molecular Formula:
C15H14O5
Molecular Weight:
274.27
Inchi:
InChI=1/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3
InChIKey:
SODJJEXAWOSSON-UHFFFAOYSA-N
Canonical SMILES:
COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O
Chemical and Physical Properties
Appearance:
Yellow granular powder.
Density:
1.291g/cm3
Melting Point:
133-136℃
Boiling Point:
439.3oCat760mmHg
Vapour:
2.49E-08mmHg at 25°C
Refractive Index:
1.605
Flash Point:
164.4oC
Water:
negligible
Solubilities:
negligible
Stability:
Stable under normal temperatures and pressures.
Storage temp:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Computed Properties:
Molecular Weight:274.26866 [g/mol]
Molecular Formula:C15H14O5
XLogP3:3.3
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:4
Tautomer Count:14
Exact Mass:274.084124
MonoIsotopic Mass:274.084124
Topological Polar Surface Area:76
Heavy Atom Count:20
Formal Charge:0
Complexity:302
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:32
Safety and Handling
Hazard Codes:
Xi:Irritant
Risk Statements:
R36/37/38
Safety Statements:
S22;S26;S37/39
HazardClass:
4.1
Safety:
Safety Information of?Bis(2-hydroxy-4-methoxyphenyl)methanone (CAS NO.131-54-4):
Hazard Codes:Xi??
Risk Statements:36/37/38
Irritating to eyes, respiratory system and skin?
Safety Statements:26-37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39:Wear suitable gloves and eye/face protection
22:Do not breathe dust?????
WGK Germany:3
RTECS:DJ0900000
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PackingGroup:
II; III
Report:
Reported in EPA TSCA Inventory.
Use and Manufacturing
Usage:
Used as a ultraviolet light absorber, esp in paints, plastics.
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