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623-08-5

Basic Information
CAS No.: 623-08-5
Name: Benzenamine,N,4-dimethyl-
Molecular Structure:
Molecular Structure of 623-08-5 (Benzenamine,N,4-dimethyl-)
Formula: C8H11N
Molecular Weight: 121.1796
Synonyms: p-Toluidine,N-methyl- (6CI,7CI,8CI);4-(Methylamino)toluene;4-Methyl-N-methylaniline;Methyl(4-methylphenyl)amine;N,4-Dimethylaniline;N,4-Dimethylbenzenamine;N,p-Dimethylaniline;N-Methyl-4-methylaniline;N-Methyl-p-methylaniline;N-Methyl-p-toluidine;N-Methyl-p-tolylamine;p,N-Dimethylaniline;p-Methyl-N-methylaniline;
EINECS: 210-769-6
Density: 0.968 g/cm3
Melting Point: -10.08°C (estimate)
Boiling Point: 210 °C at 760 mmHg
Flash Point: 72.1 °C
Solubility:
Appearance: clear yellow to brown liquid
Hazard Symbols: ToxicT
Risk Codes: 23/24/25-33-52/53
Safety: 28-36/37-45-61-28A
Transport Information: UN 2810
PSA: 12.03000
LogP: 2.10970
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Specification

The Benzenamine,N,4-dimethyl-, with CAS registry number 623-08-5, belongs to the following product categories: (1)Amines; (2)C8; (3)Nitrogen Compounds. It has the systematic name of N,4-dimethylaniline. This chemical is a kind of clear yellow to brown liquid. The main use of this chemical is for organic synthesis. What's more, its EINECS is 210-769-6.

Physical properties of Benzenamine,N,4-dimethyl-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 13.7; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 199.47; (8)ACD/KOC (pH 7.4): 310.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 40.68 cm3; (15)Molar Volume: 125.1 cm3; (16)Polarizability: 16.12×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 72.1 °C; (20)Enthalpy of Vaporization: 44.63 kJ/mol; (21)Boiling Point: 210 °C at 760 mmHg; (22)Vapour Pressure: 0.197 mmHg at 25°C.

Preparation: this chemical can be prepared by toluene-4-sulfonic acid-(N-methyl-p-toluidide). This reaction will need reagent sulfuric acid. The reaction temperature is 120 ℃.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N,4-dimethyl- is toxic by inhalation, in contact with skin and if swallowed. This chemical has danger of cumulative effects. And it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. After contact with skin, wash immediately with plenty of soap-suds. When use this chemical, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)C)C
(2)InChI: InChI=1/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
(3)InChIKey: QCIFLGSATTWUQJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
(5)Std. InChIKey: QCIFLGSATTWUQJ-UHFFFAOYSA-N