4-isothiocyanato-benzoic acid pentyl ester is an organic compound with the chemical formula C12H15NOS2. It is a derivative of benzoic acid, where the carboxyl group is esterified with a pentyl group and the para position is substituted with an isothiocyanate group. 4-isothiocyanato-benzoic acid pentyl ester is characterized by its ability to react with nucleophiles, such as amines, to form thiourea derivatives, which can be useful in the synthesis of various pharmaceuticals and agrochemicals. It is also known for its potential applications in the production of dyes and pigments due to its reactivity and chemical structure. The compound is typically synthesized through the reaction of 4-isothiocyanato-benzoic acid with a pentanol in the presence of an acid catalyst. It is important to handle 4-isothiocyanato-benzoic acid pentyl ester with care due to its potential irritant and toxic properties.
3529-99-5
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Basic information
- Product Name: 4-isothiocyanato-benzoic acid pentyl ester
- Synonyms:
- CAS NO:3529-99-5
- Molecular Formula:
- Molecular Weight: 249.334
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 4-isothiocyanato-benzoic acid pentyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 4-isothiocyanato-benzoic acid pentyl ester(3529-99-5)
- EPA Substance Registry System: 4-isothiocyanato-benzoic acid pentyl ester(3529-99-5)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 3529-99-5(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 3529-99-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,5,2 and 9 respectively; the second part has 2 digits, 9 and 9 respectively.Calculate Digit Verification of CAS Registry Number 3529-99:
(6*3)+(5*5)+(4*2)+(3*9)+(2*9)+(1*9)=105
105 % 10 = 5
So 3529-99-5 is a valid CAS Registry Number.
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4-isothiocyanato-benzoic acid pentyl ester
