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N-Formyl-4-(methylamino)benzoic acid

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Name

N-Formyl-4-(methylamino)benzoic acid

EINECS N/A
CAS No. 51865-84-0 Density 1.305 g/cm3
PSA 57.61000 LogP 1.61330
Solubility N/A Melting Point 217-221 °C
Formula C9H9NO3 Boiling Point 397.3 °C at 760 mmHg
Molecular Weight 179.175 Flash Point 194.1 °C
Transport Information N/A Appearance WHITE TO LIGHT BEIGE POWDER
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51865-84-0 (N-Formyl-4-(methylamino)benzoic acid) Hazard Symbols IrritantXi
Synonyms

4-(N-Formyl-N-methylamino)benzoicacid;NSC 114013;p-(N-Methylformamido)benzoic acid;4-[formyl(methyl)amino]benzoic acid;benzoic acid, 4-(formylmethylamino)-;

 

N-Formyl-4-(methylamino)benzoic acid Specification

The N-Formyl-4-(methylamino)benzoic acid, with the cas registry number 51865-84-0, has the systematic name of 4-[formyl(methyl)amino]benzoic acid. It is a kind of white to light beige powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C9H9NO3.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.34; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 47.68 cm3; (13)Molar Volume: 137.2 cm3; (14)Polarizability: 18.9×10-24cm3; (15)Surface Tension: 58.9 dyne/cm; (16)Density: 1.305 g/cm3; (17)Flash Point: 194.1 °C; (18)Enthalpy of Vaporization: 68.31 kJ/mol; (19)Boiling Point: 397.3 °C at 760 mmHg; (20)Vapour Pressure: 5.02E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CN(c1ccc(C(=O)O)cc1)C
(2)InChI: InChI=1/C9H9NO3/c1-10(6-11)8-4-2-7(3-5-8)9(12)13/h2-6H,1H3,(H,12,13)
(3)InChIKey: WEMYEQBKRODOGB-UHFFFAOYAD

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