CAS No.6051-43-0,Terephthalic acid monoamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6051-43-0
Name:	Terephthalic acid monoamide
Article Data:	17

Formula:	C₈H₇NO₃
Molecular Weight:	165.148
Synonyms:	Terephthalamicacid (6CI,7CI,8CI);4-(Aminocarbonyl)benzoic acid;4-Carbamoylbenzoic acid;p-Carbamoylbenzoic acid;p-Carboxybenzamide;
Density:	1.368g/cm³
Melting Point:	248 °C
Boiling Point:	400.5 °C at 760 mmHg
Flash Point:	196 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	80.39000
LogP:	1.18400

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Specification

The Benzoic acid,4-(aminocarbonyl)-, with CAS registry number 6051-43-0, has the systematic name of 4-carbamoylbenzoic acid. And its IUPAC name is 4-[2-(4-aminophenyl)ethynyl]aniline. Besides this, it is also called Terephthalic acid monoamide. And the chemical formula of this chemical is C₈H₇NO₃.

Physical properties of Benzoic acid,4-(aminocarbonyl)-: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): -2.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.35; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 42.11 cm³; (15)Molar Volume: 120.6 cm³; (16)Polarizability: 16.69×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 196 °C; (20)Enthalpy of Vaporization: 68.69 kJ/mol; (21)Boiling Point: 400.5 °C at 760 mmHg; (22)Vapour Pressure: 3.91E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,4-(aminocarbonyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(C(=O)N)cc1
(2)InChI: InChI=1/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
(3)InChIKey: JMHSCWJIDIKGNZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
(5)Std. InChIKey: JMHSCWJIDIKGNZ-UHFFFAOYSA-N