ChemicalBook > CAS DataBase List > 2-CHLORO-4-CYANOBENZOIC ACID

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
AK Scientific
Product number
5509AJ
Product name
2-Chloro-4-cyanobenzoicacid
Packaging
250mg
Price
$131
Updated
2021/12/16
Matrix Scientific
Product number
121500
Product name
2-Chloro-4-cyanobenzoicacid
Packaging
1g
Price
$395
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

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117738-77-9, 2-CHLORO-4-CYANOBENZOIC ACIDRelated Search:

2-Chloro-4-hydroxybenzaldehyde 3-Bromo-2-fluoro-6-(trifluoromethyl)benzoic acid 2-Chloro-4-(Methoxycarbonyl)benzoic acid Benzoic acid, 3-cyano-5-(trifluoromethoxy)- 3-cyano-2-methoxybenzoic acid 2-Hydroxy-5-Trifluoromethyl Benzoic Acid Benzoic acid, 3-chloro-2-(trifluoromethyl)- 3,5-Dichloro-4-Methylbenzoyl chloride 2-Cyano-3-fluorobenzoic acid Benzoic acid, 3-broMo-2,6-diMethyl- 2-Chloro-6-(trifluoromethyl)be 3-FLUORO-2-HYDROXYBENZOIC ACID 4-Cyanobenzoic acid

  • 2-CHLORO-4-CYANOBENZOIC ACID
  • Benzoic acid, 2-chloro-4-cyano-
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