3-Methyl-5-nitroaniline supplier

Name
3-METHYL-5-NITRO ANILINE
EINECS
CAS No. 618-61-1
Article Data9
CAS DataBase
Density 1.269g/cm³
Solubility
Melting Point 98 °C
Formula C₇H₈N₂O₂
Boiling Point 324.2 °C at 760 mmHg
Molecular Weight 152.153
Flash Point 149.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Toluidine,5-nitro- (8CI);3-Methyl-5-nitroaniline;3-Nitro-5-methylaniline;5-Nitro-3-aminotoluene;
PSA 71.84000
LogP 2.58980

3-Methyl-5-nitroaniline Specification

The 3-Methyl-5-nitroaniline, with CAS registry number 618-61-1, has the systematic name of 3-methyl-5-nitroaniline. Besides this, it is also called 3-Methyl-5-nitro aniline. Its molecular weight is 152.15. And the chemical formula of this chemical is C₇H₈N₂O₂.

Physical properties of 3-Methyl-5-nitroaniline: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.48; (7)ACD/KOC (pH 5.5): 235.48; (8)ACD/KOC (pH 7.4): 235.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 41.85 cm³; (15)Molar Volume: 119.8 cm³; (16)Polarizability: 16.59×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.269 g/cm³; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 56.62 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00025 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(N)c1)C
(2)InChI: InChI=1/C7H8N2O2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,8H2,1H3
(3)InChIKey: DZIJEXQVMORGQX-UHFFFAOYAU

Product Name

3-METHYL-5-NITRO ANILINE

3-Methyl-5-nitroaniline Specification

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