CAS No.618-47-3,M-TOLUAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	618-47-3
Name:	M-TOLUAMIDE
Article Data:	131

Formula:	C₈H₉NO
Molecular Weight:	135.166
Synonyms:	m-Toluamide(6CI,7CI,8CI);3-Methylbenzamide;m-Methylbenzamide;NSC 2170;
EINECS:	210-553-1
Density:	1.086 g/cm³
Melting Point:	93-96 °C
Boiling Point:	253.57 °C at 760 mmHg
Flash Point:	107.156 °C
Appearance:	white crystalline powder or chunks
Hazard Symbols:	36/37/38:;
Risk Codes:	36/37/38
Safety:	24/25
PSA:	43.09000
LogP:	1.79420

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Specification

The m-Toluamide, with the CAS registry number 618-47-3, is also known as m-Methylbenzamide. It belongs to the product categories of Amide; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS number is 210-553-1. This chemical's molecular formula is C₈H₉NO and molecular weight is 135.16. What's more, its systematic name is 3-Methylbenzamide. This chemical should be sealed and stored. Moreover, it should be protected from oxides.

Physical properties of m-Toluamide are: (1)ACD/LogP: 1.343; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.18; (6)ACD/BCF (pH 7.4): 6.18; (7)ACD/KOC (pH 5.5): 128.18; (8)ACD/KOC (pH 7.4): 128.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.008 cm³; (15)Molar Volume: 124.41 cm³; (16)Polarizability: 15.86×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.086 g/cm³; (19)Flash Point: 107.156 °C; (20)Enthalpy of Vaporization: 49.096 kJ/mol; (21)Boiling Point: 253.57 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-benzonitrile at the ambient temperature. This reaction will need reagents 30% H₂O₂, 20% NaOH aq. and solvent CH₂Cl₂ with the reaction time of 30 min. This reaction will also need catalyst tetrabutylammonium hydrogen sulfate. The yield is about 92%.

m-Toluamide can be prepared by 3-methyl-benzonitrile at the ambient temperature

Uses of m-Toluamide: it can be used to produce 3-methyl-benzaldehyde at the ambient temperature. It will need reagents SmI₂, 85% H₃PO₄ and solvent tetrahydrofuran with the reaction time of 3 seconds. The yield is about 74%.

m-Toluamide can be used to produce 3-methyl-benzaldehyde at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1)C)N
(2)Std. InChI: InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
(3)Std. InChIKey: WGRPQCFFBRDZFV-UHFFFAOYSA-N