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102-38-5

Basic Information
CAS No.: 102-38-5
Name: 3-NITROFORMANILIDE
Article Data: 43
Molecular Structure:
Molecular Structure of 102-38-5 (3-NITROFORMANILIDE)
Formula: C7H6N2O3
Molecular Weight: 166.136
Synonyms: Formanilide,3'-nitro- (8CI);N-(3-Nitrophenyl)formamide;N-(m-Nitrophenyl)formamide;m-Nitroformanilide;
Density: 1.407 g/cm3
Melting Point: 132-133 °C
Boiling Point: 368.5 °C at 760 mmHg
Flash Point: 176.7 °C
Hazard Symbols: IrritantXi
Risk Codes: R20/22
PSA: 74.92000
LogP: 2.39520
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Specification

The Formamide,N-(3-nitrophenyl)-, with the CAS registry number 102-38-5, is also known as STK039675. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C7H6N2O3 and molecular weight is 166.13414. Its IUPAC name is called N-(3-nitrophenyl)formamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Formamide,N-(3-nitrophenyl)-: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 6.82; (5)ACD/BCF (pH 7.4): 6.82; (6)ACD/KOC (pH 5.5): 137.59; (7)ACD/KOC (pH 7.4): 137.59; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 42.59 cm3; (13)Molar Volume: 118 cm3; (14)Surface Tension: 61.4 dyne/cm; (15)Density: 1.407 g/cm3; (16)Flash Point: 176.7 °C; (17)Enthalpy of Vaporization: 61.52 kJ/mol; (18)Boiling Point: 368.5 °C at 760 mmHg; (19)Vapour Pressure: 1.27E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-nitro-aniline and formic acid.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC=O
(2)InChI: InChI=1S/C7H6N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-5H,(H,8,10)
(3)InChIKey: QCDUUALALDXTAD-UHFFFAOYSA-N