Basic information
- CAS
2423-73-6- Standard SMILES
O=[N+]([O-])c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1- InChIKey
YCXQKJXTGDYKIO-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.08954328
Names & identifiers
- Preferred name
- 4-Nitro-2,6-diphenylphenol
- IUPAC
- 4-nitro-2,6-diphenylphenol
- English name
- 4-Nitro-2,6-diphenylphenol
- Molecular formula
- C18H13NO3
- Molecular weight
- 291.3
Names & synonyms
4-Nitro-2,6-diphenylphenol2423-73-6DTXSID40347800RefChem:525854DTXCID30298872621-922-55'-Nitro-[1,1':3',1''-terphenyl]-2'-olMFCD000750555-NITRO-3-PHENYL-[1,1'-BIPHENYL]-2-OLPhenol, 2,6-diphenyl-4-nitro-4-nitro-2,6-diphenyl-phenolSCHEMBL2437022
Show more names
4-Nitro-2,6-diphenylphenol>4-Nitro-2,6-diphenylphenol 99%[1,1':3',1''-Terphenyl]-2'-ol, 5'-nitro-
2'-Hydroxy-5'-nitro-m-terphenyl4-Nitro-2,6-diphenylphenol, 99%AKOS005216534AKOS015912604AS-63642SY056305DB-046376CS-0318267
Database identifiers
- CAS
2423-73-6- PubChem CID
- 625985
- DTXSID
DTXSID40347800- EC Number
- 621-922-5
- Nikkaji
- J2.639.346I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 137 · 137-139 °C(lit.)
- Boiling point
- 455.2 · 455.2±45.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- pka
- 7.1 · 7.10±0.44(Predicted)
- color
- Light orange to Yellow to Green
- InChI
- 1S/C18H13NO3/c20-18-16(13-7-3-1-4-8-13)11-15(19(21)22)12-17(18)14-9-5-2-6-10-14/h1-12,20H
- InChIKey
- YCXQKJXTGDYKIO-UHFFFAOYSA-N
- SMILES
- Oc1c(cc(cc1-c2ccccc2)[N+]([O-])=O)-c3ccccc3
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2908.99.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Nitro-2,6-diphenylphenol reacts with nitrogen dioxide in benzene solution to give the C2-epimeric 2,6-dihydroxy-4,5-dinitrocyclohex-3-enones.
General Description4-Nitro-2,6-diphenylphenol reacts with nitrogen dioxide in benzene solution to give the C2-epimeric 2,6-dihydroxy-4,5-dinitrocyclohex-3-enones.
Upstream & downstream products
Upstream raw materials
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Related reactions
4 records
Compound notes
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