2-Fluoro-6-nitrophenol

HCID 73710

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1526-17-6
Standard SMILES: O=[N+]([O-])c1cccc(F)c1O
InChIKey: HIGRXCJEFUYRNW-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-6-nitrophenol
IUPAC: 2-fluoro-6-nitrophenol
English name: 2-Fluoro-6-nitrophenol
Molecular formula: C6H4FNO3
Molecular weight: 157.1

Names & synonyms

2-Fluoro-6-nitrophenol1526-17-6Phenol, 2-fluoro-6-nitro-EINECS 216-199-4NSC 10282DTXSID2075342RefChem:87123DTXCID0034936216-199-4HIGRXCJEFUYRNW-UHFFFAOYSA-NInChI=1/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,96-Fluoro-2-nitrophenol

Show more names

2-Fluoro-6-nitrophen2-Fluor-6-nitro-phenol2-NITRO-6-FLUORO PHENOLfluoro-2 nitro-6 phenolPhenol,2-fluoro-6-nitro-Fluoro-6-nitrophenol, 2-2-Fluoro-6-nitrophenol98%2-Fluoro-6-nitrophenol>

2-nitro-6-fluorophenol2-fluoro-6-nitro-phenolMFCD00042446NSC102822-Fluor-6-nitrophenolSCHEMBL102078NSC-10282SBB063244

Database identifiers

CAS: 1526-17-6
PubChem CID: 73710
DTXSID: DTXSID2075342
EC Number: 216-199-4
Nikkaji: J206.737D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 92 · 92-94°C
Boiling point: 201.5 · 201.5±20.0 °C(Predicted)
Density: 1.511 · 1.511±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 5.67 · 5.67±0.24(Predicted)
color: Light yellow to Yellow to Orange
BRN: 1870307 · 1870307
InChI: InChI=1S/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
InChIKey: HIGRXCJEFUYRNW-UHFFFAOYSA-N
SMILES: C1(O)=C([N+]([O-])=O)C=CC=C1F
CAS DataBase Reference: 1526 · 1526-17-6(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Fluoro-6-nitrophenol (1526-17-6)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H301-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Hazard Codes: Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37/39-36/37
RIDADR: 2811 · 2811
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29089990 · 29089990

Safety & regulation

GHS classification

GHS Classification · 4 items

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 6 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 CategoriesAcute Tox. 4 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

ridadr: 2811
hs_code: 29089990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi
safety_code: 26-36/37/39-36/37
hazard_class: IRRITANT
packing_group: III
Hazard statements: H302-H315-H319-H301-H335
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501