3,4,5-Trimethylaniline supplier

Name
3,4,5-Trimethylaniline
EINECS 216-679-3
CAS No. 1639-31-2
Article Data13
CAS DataBase
Density 0.962 g/cm³
Solubility
Melting Point 79-80℃
Formula C₇H₅BrN₂S₂
Boiling Point 246.9 °C at 760 mmHg
Molecular Weight 135.209
Flash Point 109.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4,5-Trimethylphenylamine;Benzenamine, 3,4,5-trimethyl-;
PSA 26.02000
LogP 2.77520

3,4,5-Trimethylaniline Specification

The 3,4,5-Trimethylaniline, with the CAS registry number 1639-31-2, is also known as 3,4,5-Trimethylphenylamine. Its EINECS number is 216-679-3. This chemical's molecular formula is C₇H₅BrN₂S₂ and molecular weight is 269.34.

Physical properties of 3,4,5-Trimethylaniline are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 21.28; (6)ACD/BCF (pH 7.4): 33.67; (7)ACD/KOC (pH 5.5): 272.06; (8)ACD/KOC (pH 7.4): 430.45; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 44.96 cm³; (15)Molar Volume: 140.5 cm³; (16)Polarizability: 17.82×10^-24 cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.962 g/cm³; (19)Flash Point: 109.6 °C; (20)Enthalpy of Vaporization: 48.4 kJ/mol; (21)Boiling Point: 246.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0264 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(c(c(c1)C)C)C
(2)InChI: InChI=1/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
(3)InChIKey: BXCUMAUHMPSRPZ-UHFFFAOYAY

Product Name

3,4,5-Trimethylaniline

3,4,5-Trimethylaniline Specification

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