1-Chloro-2,4-difluoro-5-nitrobenzene

HCID 73867

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Basic information

CAS: 1481-68-1
Standard SMILES: O=[N+]([O-])c1cc(Cl)c(F)cc1F
InChIKey: UIOYEIHBWQTVJC-UHFFFAOYSA-N
Molecular formula: C6H2ClF2NO2
Average molar mass: 193.53 g/mol
Monoisotopic mass: 192.97421242

Names & identifiers

Preferred name: 1-Chloro-2,4-difluoro-5-nitrobenzene
IUPAC: 1-chloro-2,4-difluoro-5-nitrobenzene
English name: 2,4-Difluoro-5-chloronitrobenzene
Molecular formula: C6H2ClF2NO2
Molecular weight: 193.54

Names & synonyms

1481-68-11-Chloro-2,4-difluoro-5-nitrobenzeneEINECS 216-040-9DTXSID80163884RefChem:75329DTXCID2086375216-040-95-Chloro-2,4-difluoronitrobenzene2,4-Difluoro-5-chloronitrobenzeneBenzene, 1-chloro-2,4-difluoro-5-nitro-MFCD066582491-chloro-2,4-difluoro-5-nitro-benzene

Show more names

5-Chloro-2,4-difluoronitrobenz5-Chloro-2,4-difluoronitrobenze4-Difluoro-5-chloronitrobenzene1-Chlor-2,4-difluor-5-nitrobenzol2,4-DIFLUORO-5-CHLORO NITROBENZENE2,4-Difluoro-5-chloronitrobenzene 1-Chloro-2,4-diflu2,4-Difluoro-5-chloronitrobenzene ISO 9001：2015 REACH

5-chloro-2,4-difluoro-1-nitrobenzeneSCHEMBL138641SK9MM952U3SCHEMBL30953155CL9189SBB0636311-Chloro-2,4difluoro-5-nitrobenzeneAKOS006346040

Database identifiers

CAS: 1481-68-1
PubChem CID: 73867
DTXSID: DTXSID80163884
UNII: SK9MM952U3
EC Number: 216-040-9
Nikkaji: J206.684J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Boiling point: 105 °C · 105 °C(Press: 15 Torr)
Density: 1.591 · 1.591±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to brown Liquid
InChI: InChI=1S/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
InChIKey: UIOYEIHBWQTVJC-UHFFFAOYSA-N
SMILES: C1(Cl)=CC([N+]([O-])=O)=C(F)C=C1F
CAS DataBase Reference: 1481 · 1481-68-1(CAS DataBase Reference)
FDA UNII: 9 MM952U3 · SK9MM952U3
Symbol(GHS): 8 · GHS08,GHS06
Signal word: Danger
Hazard statements: 373 · H373-H319-H301-H335-H311-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

hs_code: 2904990090
Signal word: Danger
Symbol(GHS): GHS08,GHS06
Hazard statements: H373-H319-H301-H335-H311-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Applications

Uses2,4-Difluoro-5-chloronitrobenzene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly in laboratory research and development processes and chemical production processes.