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372-90-7

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Basic Information
CAS No.: 372-90-7
Name: 1,4-DIFLUOROBUTANE
Article Data: 11
Molecular Structure:
Molecular Structure of 372-90-7 (1,4-DIFLUOROBUTANE)
Formula: C4H8F2
Molecular Weight: 94.1043
Synonyms: 1,4-Difluorobutane;
Density: 0.892 g/cm3
Melting Point: 77.8 °C
Boiling Point: 80 °C at 760 mmHg
Hazard Symbols: IrritantXi
Safety: 23-24/25
PSA: 0.00000
LogP: 1.70560
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Specification

The Butane, 1,4-difluoro- is an organic compound with the formula C4H8F2. With the CAS registry number 372-90-7, the IUPAC name of this chemical is 1,4-difluorobutane. When you are using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

Physical properties about Butane, 1,4-difluoro- are: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.43; (4)ACD/BCF (pH 5.5): 7.2; (5)ACD/BCF (pH 7.4): 7.2; (6)ACD/KOC (pH 5.5): 143.03; (7)ACD/KOC (pH 7.4): 143.03; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.319; (10)Molar Refractivity: 20.9 cm3; (11)Molar Volume: 105.4 cm3; (12)Polarizability: 8.28×10-24cm3; (13)Surface Tension: 15.8 dyne/cm; (14)Density: 0.892 g/cm3; (15)Enthalpy of Vaporization: 30.74 kJ/mol; (16)Boiling Point: 80 °C at 760 mmHg; (17)Vapour Pressure: 96.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FCCCCF
(2)InChI: InChI=1/C4H8F2/c5-3-1-2-4-6/h1-4H2
(3)InChIKey: CXHPKSYTQFAXIN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2
(5)Std. InChIKey: CXHPKSYTQFAXIN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3400ug/kg (3.4mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.