Basic information
- Standard SMILES
O=[N+]([O-])c1cc(F)ccc1O- InChIKey
ZHRLVDHMIJDWSS-UHFFFAOYSA-N- Molecular formula
- C6H4FNO3
- Average molar mass
- 157.1 g/mol
- Monoisotopic mass
- 157.01752121
Names & identifiers
- Preferred name
- 4-Fluoro-2-nitrophenol
- IUPAC
- 4-fluoro-2-nitrophenol
- English name
- 2-Nitro-4-fluorophenol
- Molecular formula
- C6H4FNO3
- Molecular weight
- 157.1
Names & synonyms
4-Fluoro-2-nitrophenol394-33-2Phenol, 4-fluoro-2-nitro-DTXSID2075348NSC 10283Phenol, 4fluoro2nitroRefChem:98966DTXCID2039627628-200-9InChI=1/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9ZHRLVDHMIJDWSS-UHFFFAOYSA-N2-Nitro-4-fluorophenol
Show more names
4-Fluoro-2-nitrophenol>Phenol, 4-fluoro-2-nitro-4-Fluoro-2-nitrophenol99%4-Fluoro-2-nitrophenol 99%4-fluoro-2-nitrobenzophenol4-FLUORO-2-NITROPHENOL, 98+%5-Fluoro-2-hydroxynitrobenzene2-Nitro-4-fluorophenol ISO 9001：2015 REACH
4-Fluoro-2-nitro-phenolMFCD000425284-fluoronitrophenolNSC10283SCHEMBL2290934-Fluoro-2-nitrophenol, 99%SCHEMBL15017183NSC-10283
Database identifiers
- CAS
394-33-2- PubChem CID
- 136236
- DTXSID
DTXSID2075348- EC Number
- 628-200-9
- Nikkaji
- J540.538F
Properties
Computed structural properties
- XLogP
- 1.9
- 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
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionGold powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 75 · 75-77 °C (lit.)
- Boiling point
- 234.1 · 234.1±20.0 °C(Predicted)
- Density
- 1.4306 · 1.4306 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 6.76 · 6.76±0.14(Predicted)
- color
- Orange to Green to Amber
- BRN
- 1950412 · 1950412
- InChI
- InChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
- InChIKey
- ZHRLVDHMIJDWSS-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(F)C=C1[N+]([O-])=O
- CAS DataBase Reference
- 394 · 394-33-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · 4-Fluoro-2-nitrophenol(394-33-2)
- EPA Substance Registry System
- 4 · 4-Fluoro-2-nitrophenol (394-33-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-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 · 26-36-37/39
- 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 (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)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; Prolonged or repeated exposure may cause eye injury; Harmful by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 2-Nitrophenol.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses4-Fluoro-2-nitrophenol may be used in the preparation of 5-fluoro-2-methoxyanilineand 5-fluoro-2-hydroxyaniline.
General Description4-Fluoro-2-nitrophenol is formed during iron(III) nitrate nonahydrate activated by tungstophosphoric acid cesium salt catalyzed nitration of 4-fluorophenol.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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