1,3-Dichloro-2-fluoro-5-nitrobenzene

HCID 76554CAS 3107-19-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1
InChIKey: VMAATSFMXSMKPG-UHFFFAOYSA-N
Molecular formula: C6H2Cl2FNO2
Average molar mass: 209.99 g/mol
Monoisotopic mass: 208.94466188

Names & identifiers

Preferred name: 1,3-Dichloro-2-fluoro-5-nitrobenzene
IUPAC: 1,3-dichloro-2-fluoro-5-nitrobenzene
English name: 3,5-Dichloro-4-fluoronitrobenzene
Molecular formula: C6H2Cl2FNO2
Molecular weight: 209.99

Names & synonyms

3107-19-51,3-Dichloro-2-fluoro-5-nitrobenzeneEINECS 221-466-3DTXSID00185023RefChem:72617DTXCID10107514221-466-33,5-Dichloro-4-fluoronitrobenzeneBenzene, 1,3-dichloro-2-fluoro-5-nitro-MFCD001299631,3-Dichloro-2-fluoro-5-nitro-benzene7GS7VN6LFA

Show more names

uoro-1-nitrob3,5-Dichloro-4-fluoro-1-nitrob5-Dichloro-4-fluoronitrobenzene2,6-DICHLORO-P-NITROFLUOROBENZENE3,5 dichloro 4-Fluoro Nirto Benzene3,5-Dichloro-4-fluoronitrobenzene99%

3,5-Dichloro-4-fluoro-1-nitrobenzeneUNII-7GS7VN6LFA2,6-DICHLORO-4-NITROFLUOROBENZENESCHEMBL14244404-Fluoro-3,5-dichloronitrobenzeneSBB063090AKOS015888138AC-9706

Database identifiers

CAS: 3107-19-5
PubChem CID: 76554
DTXSID: DTXSID00185023
UNII: 7GS7VN6LFA
EC Number: 221-466-3
Nikkaji: J133.173F

Properties

Computed structural properties

XLogP: 3.4
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: 175

Physicochemical properties

Melting point: 44 °C · 44 °C
Boiling point: 259.3 · 259.3±35.0 °C(Predicted)
Density: 1.622 · 1.622±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Powder
color: White
CAS DataBase Reference: 3107 · 3107-19-5(CAS DataBase Reference)
FDA UNII: 7 GS7VN6LFA · 7GS7VN6LFA
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2904990090 · 2904990090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34697

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2904990090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3,5-Dichloro-4-fluoronitrobenzene is an important synthetic chemical raw material for the synthesis of other compounds. It is commonly used in chemical factories and laboratory research.

Preparation methods · 1 item

Preparation3,5-Dichloro-4-fluoronitrobenzene can be produced by reacting persulfate with ammonium nitrate to form a phosphine salt. The phosphine salt reacts with 3,5-Dichloro-4-fluorobenzene in the presence of hydrogen peroxide to form the desired product. The reaction occurs on a large scale to produce 3,5-dichloro-4-fluoronitrobenzene in high yield.