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2-Benzoylbenzoic acid

2-Benzoylbenzoic acid structure

CAS No:
85-52-9
Formula:
C14H10O3
Chemical Name:
2-Benzoylbenzoic acid
Synonyms:
Benzoic acid,2-benzoyl-;Benzoic acid,o-benzoyl-;2-Benzoylbenzoic acid;o-Benzoylbenzoic acid;Benzophenone-2-carboxylic acid;2-Carboxybenzophenone;2-Benzoquinonecarboxylic acid;Benzophenone-2-carbonic acid;o-Carboxybenzophenone;SKP 10A;Ortho-benzoylbenzoic acid;NSC 6646;SKP 10AT
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

ALMOST WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER

2-Benzoylbenzoic acid Basic Attributes

Molecular Weight：

226.23

Exact Mass：

226.23

BRN：

1107841

EC Number：

201-612-2

UNII：

1N20Y812XW

NSC Number：

6646

DSSTox ID：

DTXSID6058924

Color/Form：

TRICLINIC NEEDLES (WATER + 1)

HScode：

2918300090

Characteristics

PSA：

54.4

XLogP3：

2.3

Appearance：

Almost white to slightly beige Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

127-129 °C

Boiling Point：

257-265 °C(lit.)

Flash Point：

257°C

Refractive Index：

1.617

Water Solubility：

SOL IN HOT WATER

Storage Conditions：

Store below +30°C.

Toxicity：

Oral-rat LD50: 4600 mg/kg; Oral-Mouse LD50: 880 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Experimental Properties：

UV: 1726 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzoic acid, 3-benzoyl/

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

DG3600000

Marks：

Storage features：

Ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (98.28%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 117 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately

Drug Information

MeSH Entry Terms：

2-benzoylbenzoic acid

2-Benzoylbenzoic acid Use and Manufacturing

Methods of Manufacturing

In the presence of aluminum trichloride, phthalic anhydride and benzene are condensed and then hydrolyzed. The hydrochloric acid gas produced by the reaction should be absorbed into dilute hydrochloric acid for later use. The industrial product benzoyl benzoic acid is a white to beige powder with a purity of over 97%, and the initial melting point of the dry product is ≥126.0%. Raw material consumption quota: phthalic anhydride 690kg/t, pure benzene (95%) 402kg/t, aluminum trichloride (98.5%) 1358kg/t, sulfuric acid (98%) 500kg/t.

Uses

This product is the main raw material of anthraquinone dye intermediates, used to manufacture anthraquinone, phenanthrone, 1-aminoanthraquinone, etc.

Manufacturing Info：

Benzoic acid, 2-benzoyl-: ACTIVE

Computed Properties

Molecular Weight:226.23
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:226.062994177
Monoisotopic Mass:226.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:17
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium hydroxide

Benzoic acid

Benzene

Hydrochloric acid

Sulfuric acid

Phthalic anhydride

Benzoyl chloride

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