Cas no 76088-63-6 (1,2,3-Benzenetriol,4-nitro-)
1,2,3-Benzenetriol,4-nitro- structure
Product Name:1,2,3-Benzenetriol,4-nitro-
CAS No:76088-63-6
MF:C6H5NO5
MW:171.107601881027
CID:560920
PubChem ID:5324734
Update Time:2025-04-19
1,2,3-Benzenetriol,4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol,4-nitro-
- 4-nitro-1,2,3-trimethoxybenzene
- 4-nitropyrogallol
- 4-Nitro-1.2.3-trihydroxy-benzol
- 4-Nitro-pyrogallol (2,3,4-Trihydroxy-nitrobenzol)
- 4-nitrobenzene-1,2,3-triol
- 76088-63-6
- SCHEMBL351534
- InChI=1/C6H5NO5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10
-
- Inchi： 1S/C6H5NO5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H
- InChI Key： FPYOMUFYEZASGS-UHFFFAOYSA-N
- SMILES： OC1C(=C(C=CC=1[N+](=O)[O-])O)O
Computed Properties
- Exact Mass: 171.01700
- Monoisotopic Mass: 171.01677226g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 179
- 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
- XLogP3: 1.4
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 106.51000
- LogP: 1.23480
1,2,3-Benzenetriol,4-nitro- Customs Data
- HS CODE：2908999090
- Customs Data：
China Customs Code:
2908999090Overview:
2908999090 Halogenated derivatives of other phenols and phenolic alcohols(Including its sulfonation\Nitrosative or nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
1,2,3-Benzenetriol,4-nitro- Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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