163725-12-0
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Basic information
- Product Name: 2-(2-CYANOPHENYLTHIO)BENZOIC ACID
- Synonyms: 2-(2-CYANOPHENYLTHIO)BENZOIC ACID;2-(2-Cyanophenylthio)benzoic acid 97%
- CAS NO:163725-12-0
- Molecular Formula: C14H9NO2S
- Molecular Weight: 255.29
- EINECS: N/A
- Product Categories: C13 to C42+;Carbonyl Compounds;Carboxylic Acids
- Mol File: 163725-12-0.mol
- Article Data: 0
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Chemical Properties
- Melting Point: 210-215 °C(lit.)
- Boiling Point: 423.7°C at 760 mmHg
- Flash Point: 210°C
- Appearance: /
- Density: 1.38g/cm3
- Vapor Pressure: 6.18E-08mmHg at 25°C
- Refractive Index: 1.686
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 3.34±0.36(Predicted)
- CAS DataBase Reference: 2-(2-CYANOPHENYLTHIO)BENZOIC ACID(CAS DataBase Reference)
- NIST Chemistry Reference: 2-(2-CYANOPHENYLTHIO)BENZOIC ACID(163725-12-0)
- EPA Substance Registry System: 2-(2-CYANOPHENYLTHIO)BENZOIC ACID(163725-12-0)
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Safety Data
- Hazard Codes: Xn
- Statements: 20/21/22-36/37/38
- Safety Statements: 26-37/39
- WGK Germany: 3
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 163725-12-0(Hazardous Substances Data)
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163725-12-0 Usage
Derivative of benzoic acid
The compound is derived from benzoic acid, a simple organic acid.Contains a phenylthio group
The presence of a phenylthio group (a sulfur atom bonded to a phenyl ring) allows for interactions with other molecules.Contains a cyano group
The presence of a cyano group (a carbon atom triple-bonded to a nitrogen atom) makes the compound useful for the activation of the carboxyl group in organic synthesis.Used in synthesis of pharmaceuticals and agrochemicals
The compound is often used as a building block for the development of various bioactive molecules in the production of pharmaceutical and agricultural compounds.Valuable in drug discovery research and development
The phenylthio group and cyano group present in the compound make it a valuable component in drug discovery research and development.Check Digit Verification of cas no
The CAS Registry Mumber 163725-12-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,3,7,2 and 5 respectively; the second part has 2 digits, 1 and 2 respectively.Calculate Digit Verification of CAS Registry Number 163725-12:
(8*1)+(7*6)+(6*3)+(5*7)+(4*2)+(3*5)+(2*1)+(1*2)=130
130 % 10 = 0
So 163725-12-0 is a valid CAS Registry Number.
InChI:InChI=1/C14H9NO2S/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17)
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2-(2-CYANOPHENYLTHIO)BENZOIC ACID
