2-Chloro-4-fluoro-1-nitrobenzene

HCID 75017CAS 2106-50-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(F)cc1Cl
InChIKey: KQOOFMWRLDRDAX-UHFFFAOYSA-N
Molecular formula: C6H3ClFNO2
Average molar mass: 175.54 g/mol
Monoisotopic mass: 174.98363424

Names & identifiers

Preferred name: 2-Chloro-4-fluoro-1-nitrobenzene
IUPAC: 2-chloro-4-fluoro-1-nitrobenzene
English name: 2-Chloro-4-fluoronitrobenzene
Molecular formula: C6H3ClFNO2
Molecular weight: 175.54

Names & synonyms

2106-50-52-Chloro-4-fluoro-1-nitrobenzeneEINECS 218-286-2DTXSID60175288RefChem:86232DTXCID7097779218-286-22-Chloro-4-fluoronitrobenzeneBenzene, 2-chloro-4-fluoro-1-nitro-MFCD03412200SCHEMBL63683-chloro-4-nitrofluorobenzene

Show more names

4-fluoro-2-chloronitrobenzene2-chloro-4-fluoronitrobenzenen1-Chloro-5-fluoro-2-nitroBenzene3-Chloro-1-fluoro-4-nitrobenzene2-Chloro-4-fluoronitrobenzene >2-CHLORO-4-FLUORONITROBENZENE 98%2-chloro-4-fluoronitrobenzen, 98%min

3-chloro-4-nitro-fluorobenzene4-fluoro-2-chloro-1-nitrobenzenePS-10605SY002800C2615EN300-2175622-chloro-4-fluoro-1-nitro-benzeneA20502

Database identifiers

CAS: 2106-50-5
PubChem CID: 75017
DTXSID: DTXSID60175288
UNII: HZL4Q2H59S
EC Number: 218-286-2
Nikkaji: J298.697C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 34 · 34-37°C
Boiling point: 71 °C/2.3mmHg · 71°C/2.3mmHg(lit.)
Density: 1.494 · 1.494±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Sparingly), Methanol (Slightly)
form: Solid
color: Light Yellow
InChI: InChI=1S/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
InChIKey: KQOOFMWRLDRDAX-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(F)C=C1Cl
CAS DataBase Reference: 2106 · 2106-50-5(CAS DataBase Reference)
FDA UNII: 4 Q2H59S · HZL4Q2H59S
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H302-H311
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338-P309-P310
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38-36/38-21/22
Safety Statements: 26 · 26-36/37/39-36/37
RIDADR: 2811 · 2811
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 29049090 · 29049090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (18.2%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (18.2%)

Safety data

ridadr: 2811
hs_code: 29049090
risk_code: 20/21/22-36/37/38-36/38-21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-36/37
hazard_class: 6.1
packing_group: Ⅲ
Hazard statements: H302+H312+H332-H315-H319-H302-H311
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338-P309-P310