Basic information
- CAS
41870-24-0- Standard SMILES
COc1ccc(CO)cc1[N+](=O)[O-]- InChIKey
XJVDLGZUYYAXLS-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- (4-Methoxy-3-nitrophenyl)methanol
- IUPAC
- (4-methoxy-3-nitrophenyl)methanol
- English name
- 4-METHOXY-3-NITROBENZYL ALCOHOL 97
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
(4-methoxy-3-nitrophenyl)methanol41870-24-04-Methoxy-3-nitrobenzyl alcoholMFCD026835263-nitro-4-methoxybenzyl alcohol4-METHOXY-3-NITROBENZYL ALCOHOL 97SCHEMBL1667910SCHEMBL9007963SCHEMBL16960656SCHEMBL28712446DTXSID10403240(4-methoxy-3-nitro-phenyl)methanol
Show more names
4-METHOXY-3-NITROBENZYL ALCOHOL 97
Benzenemethanol, 4-methoxy-3-nitro-4-Methoxy-3-nitrobenzyl alcohol 97%AKOS005174733AKOS0159136204-Methoxy-3-nitrobenzyl alcohol, 97%DA-17935LS-04589SY083673
Database identifiers
- CAS
41870-24-0- PubChem CID
- 4432413
- DTXSID
DTXSID10403240- EC Number
- 192-566-1
- Nikkaji
- J465.139A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 68 · 68-71 °C (lit.)
- Boiling point
- 367.3 · 367.3±27.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.57 · 13.57±0.10(Predicted)
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C8H9NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,10H,5H2,1H3
- InChIKey
- XJVDLGZUYYAXLS-UHFFFAOYSA-N
- SMILES
- COc1ccc(CO)cc1[N+]([O-])=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2909498090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
General Description4-Methoxy-3-nitrobenzyl alcohol is an organic building block.
Upstream & downstream products
Downstream products
Suppliers29 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
Related reactions
7 records
Compound notes
Loading…