Basic information
- CAS
3163-07-3- Standard SMILES
O=[N+]([O-])c1ccc(O)cc1O- InChIKey
CYEZXDVLBGFROE-UHFFFAOYSA-N- Molecular formula
- C6H5NO4
- Average molar mass
- 155.11 g/mol
- Monoisotopic mass
- 155.02185764
Overview
2,4-Dihydroxy-nitrophenol is a nitrophenol.
Names & identifiers
- Preferred name
- 4-Nitroresorcinol
- IUPAC
- 4-nitrobenzene-1,3-diol
- English name
- 4-nitroresorcinol
- Molecular formula
- C6H5NO4
- Molecular weight
- 155.11
Names & synonyms
4-Nitroresorcinol3163-07-32,4-Dihydroxy-nitrophenolH7ZWK9J803DTXSID60185509UNII-H7ZWK9J803EINECS 221-616-8RefChem:100151DTXCID50108000221-616-84-nitrobenzene-1,3-diol1,3-Benzenediol, 4-nitro-
Show more names
4-Nitroresorcin
MFCD041179454-nitro-1,3-benzenediol3-Hydroxy-4-nitrophenolCHEBI:173661EN300-50105AB01002650-01AE-562/43461488Q27279740
Database identifiers
- CAS
3163-07-3- PubChem CID
- 76623
- DTXSID
DTXSID60185509- ChEBI
CHEBI:173661- UNII
- H7ZWK9J803
- EC Number
- 221-616-8
- Nikkaji
- J217.319K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
LogP1.83
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 122 °C · 122 °C
- Boiling point
- 278.88 °C · 278.88°C (rough estimate)
- Density
- 1.5553 · 1.5553 (rough estimate)
- refractive index
- 1.5423 · 1.5423 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.17 · 7.17±0.13(Predicted)
- color
- Yellow
- Water Solubility
- 8.13 g/L · 8.13g/L(24.70 ºC)
- FDA UNII
- 7 ZWK9J803 · H7ZWK9J803
- Symbol(GHS)
- 7 · GHS07,GHS08
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H319-H341b-H412
- Precautionary statements
- P201-P202-P264b-P270-P280i-P301+P312-P305+P351+P338-P308+P313-P330-P403+P233-P501c
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses4-Nitroresorcinol is used as a reagent in the synthesis of Deguelin (D229205); a compound that exhibits potent apoptotic and antiangiogenic activities in a variety of transformed cells and cancer cells. Deguelin also exhibits potent tumor suppressive effects in xenograft tumor models for many human cancers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [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]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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