CAS No.4913-13-7,N,N,3,5-TETRAMETHYLANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4913-13-7
Name:	N,N,3,5-TETRAMETHYLANILINE
Article Data:	18

Formula:	C₁₀H₁₅N
Molecular Weight:	149.236
Synonyms:	3,5-Xylidine,N,N-dimethyl- (6CI,7CI,8CI);(3,5-Dimethylphenyl)dimethylamine;3,5,N,N-Tetramethylaniline;3,5-Dimethyl-N,N-dimethylaniline;D 7924;N,N,3,5-Tetramethylaniline;
EINECS:	225-539-0
Density:	0.932 g/cm³
Melting Point:	1.08°C (estimate)
Boiling Point:	227 °C at 760 mmHg
Flash Point:	94.3 °C
Solubility:	Not miscible or difficult to mix with water.
Appearance:	clear yellow to orange liquid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-33-36/37/38
Safety:	26-36
Transport Information:	2810
PSA:	3.24000
LogP:	2.36940

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Specification

This chemical is called Benzenamine, N,N,3,5-tetramethyl-, and it can also be named as N,N-Dimethyl-3,5-xylidine. With the molecular formula of C₁₀H₁₅N, its molecular weight is 149.23. The CAS registry number of this chemical is 4913-13-7.

Other characteristics of the Benzenamine, N,N,3,5-tetramethyl- can be summarised as followings: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 99.87; (6)ACD/BCF (pH 7.4): 171.46; (7)ACD/KOC (pH 5.5): 803.41; (8)ACD/KOC (pH 7.4): 1379.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 50.21 cm³; (15)Molar Volume: 159.9 cm³; (16)Polarizability: 19.9×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.932 g/cm³; (19)Flash Point: 94.3 °C; (20)Enthalpy of Vaporization: 46.36 kJ/mol; (21)Boiling Point: 227 °C at 760 mmHg; (22)Vapour Pressure: 0.0794 mmHg at 25°C.

Production method of this chemical: The Benzenamine, N,N,3,5-tetramethyl- could be obtained by the reactants of dimethylamine and 2,4,6-trimethyl-pyrylium; tetrafluoroborate. This reaction needs the reagent of triethylamine, and the solvent of acetonitrile. The yield is 87.2 %. In addition, this reaction should be taken for 6 hours at the temperature of -40 °C.

Uses of this chemical: The Benzenamine, N,N,3,5-tetramethyl- could react with N,N-dimethyl-formamide, and obtain the 2.6-Dimethyl-4-dimethylamino-benzaldehyd. This reaction needs the reagent of POCl₃. The yield is 70 %. In addition, this reaction should be taken for 8 hours at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: N(c1cc(cc(c1)C)C)(C)C
2.InChI: InChI=1/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
3.InChIKey: NBFRQCOZERNGEX-UHFFFAOYAH