CAS No.431-21-0,1,2-Dibromo-3,3,3-trifluoropropane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	431-21-0
Name:	1,2-Dibromo-3,3,3-trifluoropropane
Article Data:	14

Formula:	C₃H₃Br₂F₃
Molecular Weight:	255.86
Synonyms:	2,3-Dibromo-1,1,1-trifluoropropane;
Density:	2.111 g/cm₃
Boiling Point:	118.3 °C at 760 mmHg
Flash Point:	25.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	2.70710

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Specification

The 1,2-Dibromo-3,3,3-trifluoropropane, with CAS registry number 431-21-0, has the systematic name of 2,3-dibromo-1,1,1-trifluoropropane. And its IUPAC name is 2,2-dibromo-1,1,1-trifluoropropane. Besides this, it is also called propane, 2,3-dibromo-1,1,1-trifluoro-. And the chemical formula of this chemical is C₃H₃Br₂F₃.

Physical properties of 1,2-Dibromo-3,3,3-trifluoropropane: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.91; (6)ACD/BCF (pH 7.4): 141.91; (7)ACD/KOC (pH 5.5): 1207.89; (8)ACD/KOC (pH 7.4): 1207.89; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 31.82 cm³; (15)Molar Volume: 121.1 cm³; (16)Polarizability: 12.61×10^-24cm³; (17)Surface Tension: 27.2 dyne/cm; (18)Enthalpy of Vaporization: 34.18 kJ/mol; (19)Vapour Pressure: 20 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,3,3-trifluoro-propene. This reaction will need reagent bromine.

Uses of 1,2-Dibromo-3,3,3-trifluoropropane: it can be used to produce 2-bromo-3,3,3-trifluoro-propene. This reaction will need reagent ethanolic KOH-solution.

When you are using this chemical, please be cautious about it as the following:
The 1,2-Dibromo-3,3,3-trifluoropropane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(CBr)C(F)(F)F
(2)InChI: InChI=1/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2
(3)InChIKey: XFOCTDPLVDZSGA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2
(5)Std. InChIKey: XFOCTDPLVDZSGA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	6700ppm/10M (6700ppm)	BEHAVIORAL: GENERAL ANESTHETIC	Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 197, 1946.