2,3-Dimethylfluorobenzene supplier

Name
3-FLUORO-O-XYLENE
EINECS 207-140-3
CAS No. 443-82-3
Article Data15
CAS DataBase
Density 0.983 g/cm³
Solubility Insoluble in water.
Melting Point
Formula C₈H₉F
Boiling Point 151 °C at 760 mmHg
Molecular Weight 124.158
Flash Point 36.1 °C
Transport Information UN 1993 3/PG 3
Appearance colorless clear liquid
Safety 16
Risk Codes 10-37
Molecular Structure
Hazard Symbols F, Xi
Synonyms o-Xylene,3-fluoro- (6CI,7CI,8CI);1-Fluoro-2,3-dimethylbenzene;3-Fluoro-1,2-dimethylbenzene;3-Fluoro-1,2-xylene;3-Fluoro-o-xylene;6-Methyl-2-fluorotoluene;NSC 76081;
PSA 0.00000
LogP 2.44250

2,3-Dimethylfluorobenzene Specification

The Benzene,1-fluoro-2,3-dimethyl-, with the CAS registry number 443-82-3, is also known as 3-Fluoro-1,2-dimethylbenzene. It belongs to the product category of Halogen toluene. Its EINECS number is 207-140-3. This chemical's molecular formula is C₈H₉F and formula weight is 124.16. What's more, its IUPAC name is 1-fluoro-2,3-dimethylbenzene.

Physical properties of Benzene,1-fluoro-2,3-dimethyl- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/BCF (pH 5.5): 156.5; (5)ACD/KOC (pH 5.5): 1295.52; (6)Index of Refraction: 1.48; (7)Molar Refractivity: 35.89 cm³; (8)Molar Volume: 126.1 cm³; (9)Surface Tension: 27.7 dyne/cm; (10)Density: 0.983 g/cm³; (11)Flash Point: 36.1 °C; (12)Enthalpy of Vaporization: 37.19 kJ/mol; (13)Boiling Point: 151 °C at 760 mmHg; (14)Vapour Pressure: 4.77 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3-Dimethylphenyl-chlorameisensaeureester at the temperature of 150°C. This reaction will need reagent hydrogen fluoride and various solvent(s) with the reaction time of 6 hours. The yield is about 77%.

Uses of Benzene,1-fluoro-2,3-dimethyl-: it can be used to produce a,a'-Dibrom-3-fluor-o-xylol. It will need reagent Br₂ and solvent CCl₄. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and is irritating to respiratory system. You should keep this chemical away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC=C1)F)C
(2)InChI: InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
(3)InChIKey: AWLDSXJCQWTJPC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00611,

Product Name

3-FLUORO-O-XYLENE

2,3-Dimethylfluorobenzene Specification

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