Cas no 5435-28-9 (Benzenemethanol, 3,4,5-trimethoxy-2-nitro-)
5435-28-9 structure
Product Name:Benzenemethanol, 3,4,5-trimethoxy-2-nitro-
CAS No:5435-28-9
MF:C10H13NO6
MW:243.213323354721
CID:386669
PubChem ID:227988
Update Time:2025-04-19
Benzenemethanol, 3,4,5-trimethoxy-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3,4,5-trimethoxy-2-nitro-
- (3,4,5-trimethoxy-2-nitrophenyl)methanol
- NSC-20283
- QUYJMJKAYOXDOT-UHFFFAOYSA-N
- 3,4,5-trimethoxy-2-nitrobenzyl alcohol
- NSC20283
- DTXSID50281140
- SCHEMBL8073542
- 5435-28-9
-
- Inchi： 1S/C10H13NO6/c1-15-7-4-6(5-12)8(11(13)14)10(17-3)9(7)16-2/h4,12H,5H2,1-3H3
- InChI Key： QUYJMJKAYOXDOT-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=CC(CO)=C1[N+](=O)[O-])OC)OC
Computed Properties
- Exact Mass: 243.07429
- Monoisotopic Mass: 243.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 256
- 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: 0.8
- Topological Polar Surface Area: 93.7?2
Experimental Properties
- Density: 1.299
- Boiling Point: 418.1°Cat760mmHg
- Flash Point: 206.7°C
- Refractive Index: 1.546
- PSA: 91.06
- LogP: 1.63610
Benzenemethanol, 3,4,5-trimethoxy-2-nitro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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