2-CHLORO-4-CYANOBENZOIC ACID

Product Name: 2-CHLORO-4-CYANOBENZOIC ACID
CAS No.: 117738-77-9
Chemical Name: 2-CHLORO-4-CYANOBENZOIC ACID
Synonyms: 2-CHLORO-4-CYANOBENZOIC ACID;Benzoic acid, 2-chloro-4-cyano-
CBNumber: CB91483029
Molecular Formula: C8H4ClNO2
Formula Weight: 181.58
MOL File: 117738-77-9.mol

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2-CHLORO-4-CYANOBENZOIC ACID Property

storage temp.: Sealed in dry,Room Temperature
Appearance: Light brown to yellow Solid
InChI: InChI=1S/C8H4ClNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)
InChIKey: VTROYYKGGOPEPS-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(C#N)C=C1Cl

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Safety

RIDADR: UN2811

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H303May be harmfulif swallowed

H320Causes eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TRC

Product number: C383638
Product name: 2-Chloro-4-cyanobenzoicAcid
Packaging: 50mg
Price: $65
Updated: 2021/12/16

TRC

Product number: C383638
Product name: 2-Chloro-4-cyanobenzoicAcid
Packaging: 100mg
Price: $90
Updated: 2021/12/16

TRC

Product number: C383638
Product name: 2-Chloro-4-cyanobenzoicAcid
Packaging: 500mg
Price: $330
Updated: 2021/12/16

Matrix Scientific

Product number: 121500
Product name: 2-Chloro-4-cyanobenzoicacid
Packaging: 1g
Price: $395
Updated: 2021/12/16

AK Scientific

Product number: 5509AJ
Product name: 2-Chloro-4-cyanobenzoicacid
Packaging: 250mg
Price: $131
Updated: 2021/12/16

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2-CHLORO-4-CYANOBENZOIC ACID Chemical Properties,Usage,Production

Synthesis

98592-34-8

117738-77-9

The general procedure for the synthesis of 2-chloro-4-cyanobenzoic acid from methyl 2-chloro-4-cyanobenzoate was as follows: lithium hydroxide (1.12 g, 26.69 mmol) was added to a dioxane/water (4:1, 100 mL) solution of methyl 2-chloro-4-cyanobenzoate (2.60 g, 13.29 mmol). The reaction mixture was stirred at room temperature for 3 h followed by vacuum concentration. The concentrated residue was partitioned between 1N hydrochloric acid and chloroform, and the organic layer was washed with brine and again concentrated under vacuum. The obtained residue was purified by recrystallization from a solvent mixture of dioxane and petroleum ether to finally obtain 2-chloro-4-cyanobenzoic acid (2.33 g, 97% yield) as a pale orange solid.

References

[1] Patent: EP1449844, 2004, A1. Location in patent: Page 24
[2] Patent: WO2013/8162, 2013, A1. Location in patent: Page/Page column 63; 64
[3] Patent: EP1512687, 2005, A1. Location in patent: Page/Page column 9-10
[4] Patent: US6511974, 2003, B1
[5] Journal of Medicinal Chemistry, 2008, vol. 51, # 24, p. 8124 - 8134

2-CHLORO-4-CYANOBENZOIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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2-CHLORO-4-CYANOBENZOIC ACID Suppliers

China 57 India 3 United States 6 Global 66

Shanghai Amico Chemicals Co. LTD

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2-CHLORO-4-CYANOBENZOIC ACID

Benzoic acid, 2-chloro-4-cyano-

117738-77-9

1177838-77-9