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964-68-1

Basic Information
CAS No.: 964-68-1
Name: Benzoic acid,4,4'-carbonylbis-
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 964-68-1 (Benzoic acid,4,4'-carbonylbis-)
Formula: C15H10O5
Molecular Weight: 270.241
Synonyms: Benzoicacid, 4,4'-carbonyldi- (6CI,7CI,8CI);4,4'-Benzophenonedicarboxylic acid;4,4'-Carbonylbis(benzoic acid);4,4'-Carbonyldibenzoic acid;4,4'-Dicarboxybenzophenone;Bis(4-carboxyphenyl) ketone;
EINECS: 678-034-6
Density: 1.403 g/cm3
Melting Point: 365°C
Boiling Point: 534.5 °C at 760 mmHg
Flash Point: 291.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: N/A
PSA: 91.67000
LogP: 2.31400
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    Jiangxi Shengwei Chemical Technology Co., Ltd.supplies scientific research products as below:1.High-purity organic chemical reagents;2.Analytical reagents; 3.Biochemical reagents;4.Chemical raw materials;5.Experimental instruments;6.Experimental cons

    Jiangxi Shengwei Chemical Technology Co., Ltd.supplies scientific research products as below: 1.High-purity organic chemical reagents; 2.Analytical reagents; 3.Biochemical reagent

  • Jiangxi shengwei chemical technology co. LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0796-8612228

    Address:XingHuo Road Yi Jia Village Industrial Park East Area Ji An County JiangXi Province

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  • BENZOPHENONE-4,4'-DICARBOXYLIC ACID

  • Casno:

    964-68-1

    BENZOPHENONE-4,4'-DICARBOXYLIC ACID

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    The company follows the international standard, forms the Extension's brand research and development group, designing group, management group and service group..Via the reliability of quality, sufficient spot rate and variety, we help our customers t

    Jilin Chinese Academy of Sciences - Yanshen Technology Co., Ltd. belongs to leading suppliers of the laboratory grade chemicals in China. The Company's skilled professionists speci

  • Jilin Chinese Academy of Sciences - Yanshen Technology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:13634302652

    Address:NO.777,Chang da road,High-Technology Development Zone,Changchun,Jilin

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  • 4,4'-Carbonyldibenzoic acid

  • Casno:

    964-68-1

    4,4'-Carbonyldibenzoic acid

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    Cool Pharm, a High and New Technology company,is a supplier of fine chemicals, building blocks and pharmaceutical intermediates which located in Chuansha Economic Park in Shanghai, P.R. China. Storage:Store in cool place. Keep container tightly close

    Cool Pharm, a High and New Technology company,is a supplier of fine chemicals, building blocks and pharmaceutical intermediates which located in Ch

  • coolpharm Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86 (21) 60455363

    Address:Shanghai China

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  • Benzophenone-4,4'-dicarboxylic Acid

  • Casno:

    964-68-1

    Benzophenone-4,4'-dicarboxylic Acid

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    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

    United Kingdom  |  Contact Details

    Business Type:Trading Company

    Tel:+44 (0)208 191 7890

    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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Specification

The systematic name of Benzoic acid,4,4'-carbonylbis- is 4,4'-carbonyldibenzoic acid. With the CAS registry number 964-68-1, it is also named as Benzophenone-4,4'-dicarboxylic Acid. The product's categories are Aromatic Benzophenones & Derivatives (substituted); Benzophenones (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.

The other characteristics of this chemical can be summarized as: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 69.9 cm3; (15)Molar Volume: 192.6 cm3; (16)Polarizability: 27.71×10-24cm3; (17)Surface Tension: 67 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 291.1 °C; (20)Enthalpy of Vaporization: 85.33 kJ/mol; (21)Boiling Point: 534.5 °C at 760 mmHg; (22)Vapour Pressure: 2.97E-12 mmHg at 25°C.

Preparation OF Benzoic acid,4,4'-carbonylbis-: It can be obtained by 4,4'-carbonyl-di-benzonitrile. This reaction needs reagent aq. H2SO4 by heating. The yield is 78%.

Uses of Benzoic acid,4,4'-carbonylbis-: It can react with 2-methyl-propan-2-ol to get Bis(4-tert-butoxycarbonylphenyl) ketone. This reaction needs reagent DCC, DMAP and solvent CH2Clat ambient temperature. The yield is 47%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c2ccc(C(=O)c1ccc(C(=O)O)cc1)cc2
2. InChI:InChI=1/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
3. InChIKey:LFEWXDOYPCWFHR-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
5. Std. InChIKey:LFEWXDOYPCWFHR-UHFFFAOYSA-N