CAS No.6848-13-1,3-CHLORO-N,N-DIMETHYLANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6848-13-1
Name:	3-CHLORO-N,N-DIMETHYLANILINE
Article Data:	57

Formula:	C₈H₁₀ClN
Molecular Weight:	155.627
Synonyms:	Aniline,m-chloro-N,N-dimethyl- (6CI,7CI,8CI);1-Chloro-3-dimethylaminobenzene;3-Chloro-N,N-dimethylaniline;3-Chloro-N,N-dimethylbenzenamine;3-Dimethylamino-1-chlorobenzene;N,N-Dimethyl-3-chloroaniline;N,N-Dimethyl-m-chloroaniline;m-Chloro-N,N-dimethylaniline;
EINECS:	229-935-4
Density:	1.117 g/cm³
Boiling Point:	232.663 °C at 760 mmHg
Flash Point:	94.512 °C
Solubility:	Not miscible or difficult to mix in water.
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:	20/21/22-36/37/38
Safety:	28-36/37
Transport Information:	UN 2810
PSA:	3.24000
LogP:	2.40600

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Specification

The Benzenamine,3-chloro-N,N-dimethyl-, with the CAS registry number 6848-13-1, is also known as 2-Methyl-N-(phenylmethylene)-2-propanamine. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS number is 229-935-4. This chemical's molecular formula is C₈H₁₀ClN and formula weight is 155.62. What's more, its IUPAC name is 3-chloro-N,N-dimethylaniline.

Physical properties of Benzenamine,3-chloro-N,N-dimethyl- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.061; (4)ACD/LogD (pH 7.4): 2.072; (5)ACD/BCF (pH 5.5): 21.555; (6)ACD/BCF (pH 7.4): 22.107; (7)ACD/KOC (pH 5.5): 311.172; (8)ACD/KOC (pH 7.4): 319.149; (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: 1.566; (14)Molar Refractivity: 45.461 cm³; (15)Molar Volume: 139.375 cm³; (16)Surface Tension: 37.617 dyne/cm; (17)Density: 1.117 g/cm³; (18)Flash Point: 94.512 °C; (19)Enthalpy of Vaporization: 46.936 kJ/mol; (20)Boiling Point: 232.663 °C at 760 mmHg; (21)Vapour Pressure: 0.058 mmHg at 25°C.

Uses of Benzenamine,3-chloro-N,N-dimethyl-: it can be used to produce 3-(3-dimethylamino-phenyl)-acrylic acid butyl ester at the temperature of 140°C. It will need reagent Na₂CO₃ and solvent N,N-dimethyl-acetamide with the reaction time of 20 hours. It is Heck reaction with the catalyst PdCl₂·di-(1-adamantyl)phosphine. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C1=CC(=CC=C1)Cl
(2)InChI: InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
(3)InChIKey: CHHCCYVOJBBCIY-UHFFFAOYSA-N