Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(O)c(F)c1- InChIKey
ORPHLVJBJOCHBR-UHFFFAOYSA-N- Molecular formula
- C6.H4.F.N.O3
- Average molar mass
- 157.1 g/mol
- Monoisotopic mass
- 157.01752121
Names & identifiers
- Preferred name
- 2-Fluoro-4-nitrophenol
- IUPAC
- 2-fluoro-4-nitrophenol
- English name
- 2-Fluoro-4-nitrophenol
- Molecular formula
- C6H4FNO3
- Molecular weight
- 157.1
Names & synonyms
2-FLUORO-4-NITROPHENOL403-19-0DTXSID7075393RefChem:472399DTXCID8039748628-527-7Phenol, 2-fluoro-4-nitro-4-nitro-2-fluorophenol2-fluoro-4-nitro-phenolMFCD0005197021571-34-63-Fluoro-4-hydroxynitrobenzene
Show more names
2-Fluoro-4-nitro5-Fluoro-2-nitropheno-fluoro-4-nitrophenol4-nitro-o-fluorophenol2-Fluoro-4-nitrophenol>Phenol, 2-fluoro-4-nitro-2-Fluoro-4-nitrophenol,99%2-Fluoro-4-nitrophenol 98%
2-Fluoro-4-nitrophenol potassium salt2-fluoro-4-nitro phenolSCHEMBL105216CHEMBL236536SCHEMBL3029469SR-1C62-Fluoro-4-nitrophenol, 99%SBB063133
Database identifiers
- CAS
403-19-0- PubChem CID
- 9825
- DTXSID
DTXSID7075393- ChEMBL
CHEMBL236536- EC Number
- 628-527-7
- Nikkaji
- J337.761J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrophenols
Vapor Pressure0.0026 [mmHg]
Physical DescriptionOff-white or light brown solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 120 · 120-122 °C (lit.)
- Boiling point
- 281.2 · 281.2±25.0 °C(Predicted)
- Density
- 1.4306 · 1.4306 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 5.67 · 5.67±0.22(Predicted)
- color
- White to Light yellow
- BRN
- 1944995 · 1944995
- InChI
- InChI=1S/C6H4FNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
- InChIKey
- ORPHLVJBJOCHBR-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C([N+]([O-])=O)C=C1F
- CAS DataBase Reference
- 403 · 403-19-0(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Fluoro-4-nitrophenol (403-19-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H302-H312-H315-H319-H332-H335
- Precautionary statements
- 280 a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338 · P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29089000 · 29089000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (98%): 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)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 4-Nitrophenol.
Hazard Classes and CategoriesAcute Tox. 4 (98%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29089000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H301-H302-H312-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Fluoro-4-nitrophenol may be used in chemical synthesis.
General Description2-Fluoro-4-nitrophenol is a derivative of m-fluoronitrobenzene. Crystal structure of complex of α-cyclodextrin with 2-fluoro-4-nitrophenol has been studied by the X-ray diffraction technique.
Upstream & downstream products
Upstream raw materials
Downstream products
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