Basic information
- CAS
66424-92-8- Standard SMILES
Cc1ccc([N+](=O)[O-])c(CO)c1- InChIKey
IKEYTRGLCHZQHO-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- (5-Methyl-2-nitrophenyl)methanol
- IUPAC
- (5-methyl-2-nitrophenyl)methanol
- English name
- 5-METHYL-2-NITROBENZYL ALCOHOL
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
(5-Methyl-2-nitrophenyl)methanol66424-92-85-Methyl-2-nitrobenzyl alcoholMFCD00007370Benzenemethanol, 5-methyl-2-nitro-(5-methyl-2-nitro-phenyl)methanolEINECS 266-360-8SCHEMBL680193-methyl-6-nitrobenzylalcohol5-Methyl-2-nitrobenzylalcohol3-hydroxymethyl-p-nitrotoluene5-Methyl-2-nitrobenzenemethanol
Show more names
2-Nitro-5-methylbenzyl alcohol2-Nitro-5-methylbenzenemethanol5-METHYL-2-NITROBENZYL ALCOHOL 99%
SCHEMBL16952822SCHEMBL27599498SCHEMBL316723105-methyl-2-nitro-benzyl alcoholDTXSID70985092(5-methyl-2-nitrophenyl) methanol(5-Methyl-2-nitrophenyl)methanol #AKOS005174438
Database identifiers
- CAS
66424-92-8- PubChem CID
- 568847
- DTXSID
DTXSID70985092- EC Number
- 266-360-8
- Nikkaji
- J149.930K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 66 · 66-67 °C(lit.)
- Boiling point
- 314.9 · 314.9±27.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 14.04 · 14.04±0.10(Predicted)
- Appearance
- White to light brown Solid
- InChI
- 1S/C8H9NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10H,5H2,1H3
- InChIKey
- IKEYTRGLCHZQHO-UHFFFAOYSA-N
- SMILES
- Cc1ccc(c(CO)c1)[N+]([O-])=O
- CAS DataBase Reference
- 66424 · 66424-92-8
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses5-Methyl-2-nitrobenzyl alcohol undergoes oxidation in the presence of ammonium chlorochromate adsorbed on montmorillonite K-10 to yield 5-methyl-2-nitrobenzaldehyde. It also undergoes oxidation with chromium trioxide-HZSM-5 zeolite under microwave irradiation on solventless system.
General Description5-Methyl-2-nitrobenzyl alcohol undergoes oxidation in the presence of ammonium chlorochromate adsorbed on montmorillonite K-10 to yield 5-methyl-2-nitrobenzaldehyde. It also undergoes oxidation with chromium trioxide-HZSM-5 zeolite under microwave irradiation on solventless system.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
17 records
Compound notes
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