Cas no 83488-02-2 (4-tert-Amyl-2-Amino-6-Nitrophenol)
83488-02-2 structure
Product Name:4-tert-Amyl-2-Amino-6-Nitrophenol
CAS No:83488-02-2
MF:C11H16N2O3
MW:224.256342887878
CID:60573
PubChem ID:5743751
Update Time:2024-01-24
4-tert-Amyl-2-Amino-6-Nitrophenol Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-Amyl-2-Amino-6-Nitrophenol
- 2-AMINO-4-(1,1-DIMETHYL-PROPYL)-6-NITRO-PHENOL
- 2-Amino-4-tert-amyl-6-nitrophenol
- 2-Amino-4-tert-pentyl-6-nitrophenol
- 2-AMINO-4-T-PENTYL-6-NITROPHENOL
- 2-amino-6-nitro-4-(tert-pentyl)phenol
- 2-Amino-4-(1,1-dimethylpropyl)-6-nitrophenol (ACI)
- Phenol, 2-amino-6-nitro-4-tert-pentyl- (6CI)
- 2-Amino-4-(2-methylbutan-2-yl)-6-nitrophenol
- DTXSID601003473
- EINECS 280-465-6
- NS00059691
- SCHEMBL7908796
- 83488-02-2
- AC-11373
- AKOS015890006
- FT-0641904
- A840584
- W-104142
-
- Inchi： 1S/C11H16N2O3/c1-4-11(2,3)7-5-8(12)10(14)9(6-7)13(15)16/h5-6,14H,4,12H2,1-3H3
- InChI Key： WLJLENRIPLYJSZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(O)=C(N)C=C(C(CC)(C)C)C=1)=O
Computed Properties
- Exact Mass: 224.11600
- Monoisotopic Mass: 224.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 262
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: 3.5
- Topological Polar Surface Area: 89.4
Experimental Properties
- Color/Form: Brown powder
- Density: 1.211
- Boiling Point: 324.8 °C at 760 mmHg
- Flash Point: 150.3 °C
- Refractive Index: 1.583
- PSA: 92.07000
- LogP: 3.67460
4-tert-Amyl-2-Amino-6-Nitrophenol Security Information
- WGK Germany：3
- Safety Instruction： S36/37
- RTECS：AM6913800
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22
4-tert-Amyl-2-Amino-6-Nitrophenol Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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