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Name |
Benzenamine,2,5-dimethyl-4-nitro- |
EINECS | 222-405-3 |
CAS No. | 3460-29-5 | Density | 1.22 g/cm3 |
PSA | 71.84000 | LogP | 2.89820 |
Solubility | N/A | Melting Point |
144-146℃ |
Formula | C8H10N2O2 | Boiling Point | 342.5 °C at 760 mmHg |
Molecular Weight | 166.18 | Flash Point | 160.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Xylidine,4-nitro- (6CI,7CI,8CI);NSC 43207;1-Amino-2,5-dimethyl-4-nitrobenzene;2,5-Dimethyl-4-nitroaniline;NSC 135156;Aniline, 2,5-dimethyl-4-nitro-;4-12-00-02573 (Beilstein Handbook Reference);Benzenamine, 2,5-dimethyl-4-nitro- (9CI); |
Article Data | 16 |
The Benzenamine,2,5-dimethyl-4-nitro-, with the CAS registry number 3460-29-5, is also known as 1-Amino-2,5-dimethyl-4-nitrobenzene. Its EINECS number is 222-405-3. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.18. What's more, its systematic name is 2,5-dimethyl-4-nitroaniline.
Physical properties of Benzenamine,2,5-dimethyl-4-nitro- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.55; (6)ACD/BCF (pH 7.4): 33.55; (7)ACD/KOC (pH 5.5): 430.24; (8)ACD/KOC (pH 7.4): 430.25; (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: 1.601; (14)Molar Refractivity: 46.68 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 18.5×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 160.9 °C; (20)Enthalpy of Vaporization: 58.62 kJ/mol; (21)Boiling Point: 342.5 °C at 760 mmHg; (22)Vapour Pressure: 7.5E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])C)N
(2)InChI: InChI=1S/C8H10N2O2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3
(3)InChIKey: PJAGNJQUIUEGKP-UHFFFAOYSA-N