1,2-Dichloro-4-fluoro-5-nitrobenzene (HCID 533951)

Names & identifiers

Preferred name: 1,2-Dichloro-4-fluoro-5-nitrobenzene
IUPAC: 1,2-dichloro-4-fluoro-5-nitrobenzene
English name: 1,2-Dichloro-4-fluoro-5-nitrobenzene
Molecular formula: C6H2Cl2FNO2
Molecular weight: 209.99

Names & synonyms

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8DTXSID90336466RefChem:71854DTXCID40287555607-228-5FXOCDIKCKFOUDE-UHFFFAOYSA-N4,5-Dichloro-2-fluoronitrobenzeneBenzene, 1,2-dichloro-4-fluoro-5-nitro-MFCD000753304,5-dichloro-2-fluoro-1-nitrobenzeneSCHEMBL123793

Show more names

BUTTPARK 89\07-58uoro-5-nitrobenzene1,2-DICHLORO-4-FLUOR3,4-Dichloro-2-fluoro-1-nitrobenzene4,5-Dichloro-2-fluoronitrobenzene95%4,5-Dichloro-2-fluoronitrobenzene 95%1,2-Dichloro-4-fluoro-5-nitorobenzene

SCHEMBL29580289SBB063959AKOS015850065AC-9707CS-W0151301,2-dichloro-4-fluoro-5-nitro-benzeneDS-14272SY014946

Database identifiers

CAS: 2339-78-8
PubChem CID: 533951
DTXSID: DTXSID90336466
EC Number: 607-228-5
Nikkaji: J1.491.523K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 17 °C · 17 °C (lit.)
Boiling point: 247 °C · 247 °C (lit.)
Density: 1.596 g/mL · 1.596 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.575(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Low Melting Solid
color: Pale yellow
InChI: 1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey: FXOCDIKCKFOUDE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(Cl)c(Cl)cc1F
CAS DataBase Reference: 2339 · 2339-78-8(CAS DataBase Reference)
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: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2904990090 · 2904990090
Storage Class: 10 · 10 - Combustible liquids
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 · 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 42 reports by companies from 5 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 data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2904990090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
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

Uses1,2-Dichloro-4-fluoro-5-nitrobenzene may be used in the combinatorial solid-phase synthesis of bis-heterocyclic compounds. It was employed as solute to investigate the possibility of selective excitation in coupled multispin systems.

General DescriptionProton-detected local field (PDLF) spectra of 1,2-dichloro-4-fluoro-5-nitrobenzene in nematic solvents has been studied.