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779-47-5

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Basic Information
CAS No.: 779-47-5
Name: N-isopropylterephthalamic acid
Molecular Structure:
Molecular Structure of 779-47-5 (N-isopropylterephthalamic acid)
Formula: C11H13 N O3
Molecular Weight: 207.25
Synonyms: Terephthalamicacid, N-isopropyl- (7CI,8CI); N-Isopropylterephthalamic acid; Terephthalic acidisopropylamide
Density: 1.179g/cm3
Boiling Point: 413.9°C at 760 mmHg
Flash Point: 204.1°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 66.40000
LogP: 1.91390
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    CAS779-47-5 N-isopropylterephthalamic acid

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  • Benzoic acid,4-[[(1-methylethyl)amino]carbonyl]-

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    Benzoic acid,4-[[(1-methylethyl)amino]carbonyl]-

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  • N-isopropylterephthalamic acid

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    N-isopropylterephthalamic acid

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Chemistry

Empirical Formula of N-Isopropylterephthalamic acid (CAS NO.779-47-5): C11H13NO3
Molecular Weight: 207.2258 
Index of Refraction: 1.55
Density: 1.179 g/cm3
Flash Point: 204.1 °C
Enthalpy of Vaporization: 70.29 kJ/mol
Boiling Point: 413.9 °C at 760 mmHg
Vapour Pressure: 1.37E-07 mmHg at 25 °C
Structure of N-Isopropylterephthalamic acid (CAS NO.779-47-5):
                      
IUPAC Name: 4-(Propan-2-ylcarbamoyl)benzoic acid
Canonical SMILES: CC(C)NC(=O)C1=CC=C(C=C1)C(=O)O
InChI: InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChIKey: PRCGIFCKPACTDG-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition N-Isopropylterephthalamic acid (CAS NO.779-47-5) emits toxic fumes of NOx.

Specification

 N-Isopropylterephthalamic acid , its cas register number is 779-47-5. It also can be called Benzoic acid, 4-(((1-methylethyl)amino)carbonyl)- (9CI) ; Terephthalic acid isopropylamide ; and 4-(((1-Methylethyl)amino)carbonyl)benzoic acid .