1,3-difluorobenzene

CAS No. 372-18-9

Formula: C6H4F2
Basic Info

1,3-Difluorobenzene is widely used in the pharmaceutical, chemical and food industries as a fundamental building block to create a variety of important compounds. 1,3-Difluorobenzene is also used as a starting material to synthesize benzoic acids (e.g. 2,4-Difluorobenzoic acid [D445710]) and Resorcinol derivatives by means of nucleophilic aromatic substitution reactions.

Formula
C6H4F2
Molecular Weight
114.093
Exact Mass
114.028
LogP
1.9648
PSA
0
Synonyms

DIFLOUROBENZENE

1,3-Difluorobenzene

Benzene, 1,3-difluoro-

m-Difluro Benzene

m-difluoro-benzen

1,3-Difluorbenzol

2,4-difluorobenzene

1,3 difluorobenzene

M-DIFLUOROBENZENE

meta-difluorobenzene

1,3-DIFLUOROBENZEN

Benzene,m-difluoro

2,6-difluorobenzene

1,3-difluroethylene

3-DifluoroBenzene

1?-Difluorobenzene

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Properties
Appearance & Physical State
clear colorless to yellowish liquid
Density
1.163
Boiling Point
83ºC
Melting Point
-59ºC
Flash Point
2ºC
Refractive Index
1.437-1.439
Water Solubility
insoluble
Stability
Stable under normal temperatures and pressures.
Storage Condition
Flammables area
Safety Info
RTECS
CZ5652000
Safety Statements
S16-S29-S33-S7
WGK Germany
1
Risk Statements
R11; R20
HS Code
29036990
RIDADR
UN 1993
Hazard Class
3
Packing Group
II
Caution Statement
P210
Hazard Codes
Hazard Declaration
Caution Statement
Spectrum
NMR Spectrum 1H NMR : Predict
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
641.7
Temperature Control
Method
temperature ramp
Comments
8. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 300. C
Reference
Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
644.
Temperature Control
Method
temperature ramp
Comments
25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 250. C
Reference
Zenkevich, I.G.Experimentally measured retention indices.2005.
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LC50 - Lethal concentration, 50 percent kill
Exposure Route
Inhalation
Species Observed
Rodent - mouse
Dose/Duration
55 gm/m3/2H
Toxic Effects
Brain and Coverings--recordings from specific areas of CNS
Reference
Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. (Novosibirsk, USSR) No.1-3, 1963-68. For publisher information, see ISBNBN. Volume(issue)/page/year: 3,91,1965

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