Benzophenone

• Catalog Number: ACM119619-2
• Product Name: Benzophenone
• CAS: 119-61-9
• Category: Polymer/Macromolecule
• Description: Benzophenone is the organic compound with the formula (C6H5)2CO, generally abbreviated Ph2CO. Benzophenone is a widely used building block in organic chemistry, being the parent diarylketone.
• Synonyms: Dipheny ketone
• IUPAC Name: Diphenylmethanone
• Molecular Weight: 182.22
• Molecular Formula: C13H10O
• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• InChI: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N
• Boiling Point: 305 °C
• Melting Point: 47-51 °C
• Flash Point: >230 °F
• Density: 1.11 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water and glycerol; slightly soluble in propylene glycol; soluble in oils
• Appearance: Orange crystals
• Application: Benzophenone is mainly used as a photoinitiator molecule in a variety of 3D printing s. It has a high quantum yield that makes it useful in the development of UV curable photopolymers.
• Assay: ≥99%
• Autoignition Temperature: 650 °C
• Color/Form: Orthorhombic prisms from alcohol (alpha); monoclinic prisms (beta);Rhombic prisms (stable form), monoclinic prisms (labile form), white crystals
• Complexity: 165
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp it emits acrid and irritating fumes.;>320 °C
• Defined Atom Stereocenter Count: 0
• EC Number: 204-337-6
• Exact Mass: 182.073164938
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• Form: powder or crystals
• Formal Charge: 0
• Hazard Codes: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heat of Vaporization: 23.86 cal/g = 99.83 J/g = 18,191 J/mol
• Heavy Atom Count: 14
• HS Code: 2914399090
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• ICSC Number: 0389;1605
• Isotope Atom Count: 0
• LogP: 2.91760
• MDL Number: MFCD00003076
• Monoisotopic Mass: 182.073164938
• NACRES: NA.23
• NSC Number: 8077
• Odor: Geranium-like odor;Sweet, rose-like odor
• Other Experimental: Melting point: 49 °C; Density: 1.0976 at 50 °C/50 °C (alpha-Benzophenone);Melting point: 26 °C; Density: 1.108 at 23 °C/40 °C (beta-Benzopheone);Melting point: 47 °C (gamma-Benzophenone);Crystals from ligroin, mp 143-144 °C. Freely soluble in ether, acetone /Oxime/;Henry's Law constant = 1.94X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.55X10-12 cu cm/molecule-sec at 25 °C (est)
• Packaging: Packaging; 1, 10 g in poly bottle
• Physical State: Crystalline powder
• PSA: 17.7
• PubChem ID: 24866768
• Quality Level: 100
• Refractive Index: n20/D 1.5893(lit.)
• RIDADR: UN 3077 9/PG 3
• Rotatable Bond Count: 2
• RTECS Number: DI9950000
• Stability: Stable. Incompatible with strong oxidizing agents, strong reducing agents. Combustible.
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 17.1 Ų
• UNII: 701M4TTV9O
• UN Number: 1224
• Vapor Density: 4.21
• Vapor Pressure: 1 mm Hg ( 108 °C)
• WGK Germany: 2
• XLogP3: 3.4

Custom Q&A

What is the molecular formula of Benzophenone?

The molecular formula of Benzophenone is C13H10O.

What is the molecular weight of Benzophenone?

The molecular weight of Benzophenone is 182.22 g/mol.

What are some synonyms for Benzophenone?

Some synonyms for Benzophenone include diphenylmethanone, Diphenyl ketone, and Benzoylbenzene.

What is the IUPAC name of Benzophenone?

The IUPAC name of Benzophenone is diphenylmethanone.

What is the InChIKey of Benzophenone?

The InChIKey of Benzophenone is RWCCWEUUXYIKHB-UHFFFAOYSA-N.

What is the canonical SMILES of Benzophenone?

The canonical SMILES of Benzophenone is C1=CC=C(C=C1)C(=O)C2=CC=CC=C2.

What is the CAS number of Benzophenone?

The CAS number of Benzophenone is 119-61-9.

What is the UNII number of Benzophenone?

The UNII number of Benzophenone is 701M4TTV9O.

What is the FEMA number of Benzophenone?

The FEMA number of Benzophenone is 2134.

What is the JECFA number of Benzophenone?

The JECFA number of Benzophenone is 831.