Cas no 5447-99-4 (2-Pentanol, 3-nitro-)
2-Pentanol, 3-nitro- structure
Product Name:2-Pentanol, 3-nitro-
2-Pentanol, 3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanol, 3-nitro-
- 3-Nitro-2-pentanol,mixtureof(+/-)-threoand(+/-)-erythro50GR
- 3-nitropentan-2-ol
- 2-Hydroxy-3-nitro-pentan
- 2-Hydroxy-3-Nitropentane
- 2-Pentanol,3-nitro
- 3-Nitro-2-pentanol
- 3-Nitro-2-pentanol, mixture of(+/-)-threo and (+/-)-erythro
- 3-nitro-pentan-2-ol
- 3-Nitro-pentanol-(2)
- EINECS 226-669-0
- Methyl-(1-nitro-propyl)-carbinol
- NSC 17683
- FT-0635721
- NSC17683
- AKOS015916733
- SCHEMBL2918544
- CCRIS 5051
- CHEBI:138493
- NS00045005
- 5447-99-4
- DTXSID701031647
- NSC-17683
-
- Inchi： 1S/C5H11NO3/c1-3-5(4(2)7)6(8)9/h4-5,7H,3H2,1-2H3
- InChI Key： CHOTTWGZEKCPHA-UHFFFAOYSA-N
- SMILES： OC(C)C(CC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 133.07400
- Monoisotopic Mass: 133.073893
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 98.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 0.7
- Topological Polar Surface Area: 66
Experimental Properties
- Color/Form: Yellow transparent liquid
- Density: 1.075?g/mL?at 25?°C(lit.)
- Boiling Point: 60℃
- Flash Point: 195?°F
- Refractive Index: n20/D 1.443(lit.)
- PSA: 66.05000
- LogP: 0.94570
- Solubility: Not determined
2-Pentanol, 3-nitro- Security Information
- WGK Germany：3
- Safety Instruction： S24/25
- Safety Term：S24/25
2-Pentanol, 3-nitro- Customs Data
- HS CODE：2905590090
- Customs Data：
China Customs Code:
2905590090Overview:
2905590090 Halogenation of other acyclic alcohols\Sulfonated and other derivatives.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
2-Pentanol, 3-nitro- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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