1-Chloro-2,4,6-trifluorobenzene

HCID 2736662CAS 2106-40-3

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1cc(F)c(Cl)c(F)c1
InChIKey: HNUHTJBTOGQIHV-UHFFFAOYSA-N
Molecular formula: C6H2ClF3
Average molar mass: 166.53 g/mol
Monoisotopic mass: 165.9797124

Names & identifiers

Preferred name: 1-Chloro-2,4,6-trifluorobenzene
IUPAC: 2-chloro-1,3,5-trifluorobenzene
English name: 2,4,6-Trifluorochlorobenzene
Molecular formula: C6H2ClF3
Molecular weight: 166.53

Names & synonyms

1-Chloro-2,4,6-trifluorobenzeneRefChem:431169630-695-12106-40-32-chloro-1,3,5-trifluorobenzene2,4,6-Trifluorochlorobenzene2-chloro-1,3,5-trifluoro-benzeneMFCD00012239Benzene, 2-chloro-1,3,5-trifluoro-C146SCHEMBL1043332SCHEMBL1045916

Show more names

DTXSID90371514HNUHTJBTOGQIHV-UHFFFAOYSA-NSBB0880392-Chloro-1,3,5-trifluoro-benzene;AKOS007930258AS-33098SY106554DB-015819

Database identifiers

CAS: 2106-40-3
PubChem CID: 2736662
DTXSID: DTXSID90371514
EC Number: 630-695-1
Nikkaji: J1.099.739I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -3 · -3--2 °C
Boiling point: 124 °C · 124 °C(lit.)
Density: 1.463 g/mL · 1.463 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.456(lit.)
Flash point: 106 °F · 106 °F
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 2106 · 2106-40-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227
Precautionary statements: 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 2903998090
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 16-26-36/37/39
hazard_class: 3.2
packing_group: III
Hazard statements: H315-H319-H227
Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

Chemistry & industry

Applications · 2 items

Description2,4,6-Trifluorochlorobenzene is an organic compound that is usually a colorless or light yellow liquid. It is not easily soluble in water, but soluble in most organic solvents. It is stable at room temperature and pressure, but should be avoided from contact with strong oxidants. It can be used in organic synthesis of pesticides, dyes, etc.

Uses2,4,6-Trifluorochlorobenzene is used as pharmaceutical, pesticide, and liquid crystal material intermediates.