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CAS No.: | 6265-07-2 |
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Name: | 2-Amino-6-nitro-p-cresol |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H8N2O3 |
Molecular Weight: | 168.152 |
Synonyms: | p-Cresol,2-amino-6-nitro- (6CI,8CI);2-Amino-4-methyl-6-nitrophenol; |
EINECS: | 228-430-6 |
Density: | 1.421 g/cm3 |
Melting Point: | 119 °C |
Boiling Point: | 299.1 °C at 760 mmHg |
Flash Point: | 134.7 °C |
PSA: | 92.07000 |
LogP: | 2.29540 |
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The 2-Amino-4-methyl-6-nitrophenol with the CAS number 6265-07-2 is also called Phenol,2-amino-4-methyl-6-nitro-. Its molecular formula is C7H8N2O3. The EINECS registry number is 228-430-6. This chemical belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Pharmaceutical Intermediate.
Properties of the 2-Amino-4-methyl-6-nitrophenol computed from structure: (1)XLogP3-AA: 1.6; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 0; (5)Tautomer Count: 13; (6)Exact Mass: 168.053492; (7)MonoIsotopic Mass: 168.053492; (8)Topological Polar Surface Area: 92.1; (9)Heavy Atom Count: 12; (10)Formal Charge: 0; (11)Complexity: 180; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 2; (19)Feature 3D Donor Count: 2; (20)Feature 3D Anion Count: 1; (21)Feature 3D Cation Count: 1; (22)Feature 3D Ring Count: 1.
Preparation: This chemical can be prepared by 4-methyl-2,6-dinitro-phenol. This reaction needs reagent diluted ammonia and hydrogen sulfide.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N
(2)InChI: InChI=1S/C7H8N2O3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,8H2,1H3
(3)InChIKey: AJWIWEGQLDDWQC-UHFFFAOYSA-N