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CAS No.: | 65078-77-5 |
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Name: | 2,3-dichloro-6-nitroaniline |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H4Cl2N2O2 |
Molecular Weight: | 207.016 |
Synonyms: | 2,3-Dichloro-6-nitroaniline;2,3-Dichloro-6-nitrobenzenamine; |
EINECS: | 265-378-3 |
Density: | 1.624 g/cm3 |
Boiling Point: | 323.5 °C at 760 mmHg |
Flash Point: | 149.4 °C |
PSA: | 71.84000 |
LogP: | 3.58820 |
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The Benzenamine,2,3-dichloro-6-nitro-, with the CAS registry number 65078-77-5, is also known as 2,3-Dichloro-6-nitrobenzenamine. Its EINECS number is 265-378-3. This chemical's molecular formula is C6H4Cl2N2O2 and molecular weight is 207.01. What's more, its IUPAC name is 2,3-dichloro-6-nitroaniline.
Physical properties of Benzenamine,2,3-dichloro-6-nitro- are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 386.2; (6)ACD/BCF (pH 7.4): 386.2; (7)ACD/KOC (pH 5.5): 2473.1; (8)ACD/KOC (pH 7.4): 2473.1; (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: 1.655; (14)Molar Refractivity: 46.82 cm3; (15)Molar Volume: 127.4 cm3; (16)Polarizability: 18.56×10-24cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.624 g/cm3; (19)Flash Point: 149.4 °C; (20)Enthalpy of Vaporization: 56.54 kJ/mol; (21)Boiling Point: 323.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000261 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])N)Cl)Cl
(2)InChI: InChI=1S/C6H4Cl2N2O2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,9H2
(3)InChIKey: RDCOVUDTFKIURA-UHFFFAOYSA-N