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CAS No.: | 5465-33-8 |
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Name: | 2-CHLORO-4-METHYL-6-NITRO-PHENYLAMINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H7ClN2O2 |
Molecular Weight: | 186.598 |
Synonyms: | NSC 28974; |
EINECS: | 226-768-9 |
Density: | 1.415 g/cm3 |
Melting Point: | 63-65 °C |
Boiling Point: | 307.6 °C at 760 mmHg |
Flash Point: | 139.8 °C |
PSA: | 71.84000 |
LogP: | 3.24320 |
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The Benzenamine,2-chloro-4-methyl-6-nitro-, with the CAS registry number 5465-33-8, is also known as 2-Chloro-4-methyl-6-nitroaniline 95%. Its EINECS registry number is 226-768-9. This chemical's molecular formula is C7H7ClN2O2 and molecular weight is 186.019605. Its IUPAC name is called 2-chloro-4-methyl-6-nitroaniline.
Physical properties of Benzenamine,2-chloro-4-methyl-6-nitro-: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 209.82; (6)ACD/BCF (pH 7.4): 209.82; (7)ACD/KOC (pH 5.5): 1598.03; (8)ACD/KOC (pH 7.4): 1598.03; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 46.75 cm3; (14)Molar Volume: 131.7 cm3; (15)Surface Tension: 57 dyne/cm; (16)Density: 1.415 g/cm3; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 54.82 kJ/mol; (19)Boiling Point: 307.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000717 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H7ClN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
(3)InChIKey: UGXUJYWOKLTNET-UHFFFAOYSA-N