Basic information
- CAS
636-93-1- Standard SMILES
COc1ccc([N+](=O)[O-])cc1O- InChIKey
KXKCTSZYNCDFFG-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Overview
2-Methoxy-5-nitrophenol is a member of 3-nitrophenols.
Names & identifiers
- Preferred name
- 2-Methoxy-5-nitrophenol
- IUPAC
- 2-methoxy-5-nitrophenol
- English name
- 2-Methoxy-5-nitrophenol
- Molecular formula
- C7H7NO4
- Molecular weight
- 169.13
Names & synonyms
2-Methoxy-5-nitrophenol636-93-15-NitroguaiacolPhenol, 2-methoxy-5-nitro-3-Hydroxy-4-methoxynitrobenzene2-hydroxy-4-nitroanisoleEINECS 211-269-0E5T11I2JUBDTXSID1047021GUAIACOL, 5-NITRO-3-NITRO-6-METHOXYPHENOL4-NITRO-2-HYDROXYANISOLE
Show more names
5-nitroguaiacolateNITROGUAIACOL(5-)Methoxy-5-nitrophe5-Nitroguaiacol>2-Methoxy-5-nitrophe2-METHOXY-5-NITROANILINE5-Nitro-2-Methoxy Phenol
RefChem:474463DTXCID9027021211-269-02-methoxy-5-nitro-phenolMFCD000155612-Methyloxy-5-nitrophenolghl.PD_Mitscher_leg0.1131CHEBI:81049
Database identifiers
- CAS
636-93-1- PubChem CID
- 69471
- DTXSID
DTXSID1047021- ChEBI
CHEBI:81049- UNII
- E5T11I2JUB
- EC Number
- 211-269-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Collision Cross Section129.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0035790]
Physicochemical properties
- Melting point
- 103 · 103-107 °C (lit.)
- Boiling point
- 110 · 110-112 °C/1 mmHg (lit.)
- Density
- 1.3375 · 1.3375 (estimate)
- refractive index
- 1.583 · 1.5830 (rough estimate)
- Flash point
- 110 · 110-112°C/1mm
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.31 · 8.31±0.19(Predicted)
- color
- Light Yellow to Light Brown
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Methoxy-5-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (91.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29095090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
Uses2-Methoxy-5-nitrophenol is used in the synthesis of potent VEGF and tyrosine kinase inhibitors. Also used in the synthesis of GABA analogues and phosphodiesterase inhibitors such as rolipram.
General Description2-Methoxy-5-nitrophenol is the substitution photoproduct formed on irradiation of 2-chloro-4-nitroanisole at 25°C in aqueous NaOH.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]
Related reactions
73 records
Compound notes
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