1,3-Benzenediamine,5-methyl- supplier

Name
toluene-3,5-diamine
EINECS 203-609-1
CAS No. 108-71-4
Article Data15
CAS DataBase
Density 1.107 g/cm³
Solubility
Melting Point 98.1°C
Formula C₇H₁₀N₂
Boiling Point 284 °C at 760 mmHg
Molecular Weight 122.17
Flash Point 152.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluene-3,5-diamine(7CI,8CI);3,5-Diaminotoluene;3,5-Tolylenediamine;
PSA 52.04000
LogP 2.32180

1,3-Benzenediamine,5-methyl- Specification

The 1,3-Benzenediamine,5-methyl- is an organic compound with the formula C₇H₁₀N₂. The IUPAC name of this chemical is 5-methylbenzene-1,3-diamine. With the CAS registry number 108-71-4, it is also named as 1,3-Diamino-5-methylbenzene.

Physical properties about 1,3-Benzenediamine,5-methyl- are: (1)ACD/LogP: 0.15; (2)ACD/LogD (pH 5.5): 0.03; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.85; (7)ACD/KOC (pH 7.4): 28.79; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 6.48 Å²; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 39.55 cm³; (14)Molar Volume: 110.2 cm³; (15)Polarizability: 15.67×10^-24cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.107 g/cm³; (18)Flash Point: 152.9 °C; (19)Enthalpy of Vaporization: 52.3 kJ/mol; (20)Boiling Point: 284 °C at 760 mmHg; (21)Vapour Pressure: 0.00306 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(N)c1)C
(2)InChI: InChI=1/C7H10N2/c1-5-2-6(8)4-7(9)3-5/h2-4H,8-9H2,1H3
(3)InChIKey: LVNDUJYMLJDECN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H10N2/c1-5-2-6(8)4-7(9)3-5/h2-4H,8-9H2,1H3
(5)Std. InChIKey: LVNDUJYMLJDECN-UHFFFAOYSA-N

Product Name

toluene-3,5-diamine

1,3-Benzenediamine,5-methyl- Specification

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