Name: 4-BROMO-3,3,4,4-TETRAFLUORO-1-BUTANOL
SKU: 234443-21-1

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Basic Information

Molecular Structure:
CAS No.:	234443-21-1
Name:	4-BROMO-3,3,4,4-TETRAFLUORO-1-BUTANOL

Formula:	C₄H₅BrF₄O
Molecular Weight:	224.98
Synonyms:	4-Bromo-3,3,4,4-tetrafluorobutan-1-ol;
Density:	1.769 g/cm³
Boiling Point:	146.2 °C at 760 mmHg
Flash Point:	42.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	1.99180

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Specification

The systematic name of 4-Bromo-3,3,4,4-tetrafluorobutan-1-ol is 4-bromo-3,3,4,4-tetrafluorobutan-1-ol. With the CAS registry number 234443-21-1, it is also named as 1-Butanol,4-bromo-3,3,4,4-tetrafluoro-. In addition, its molecular formula is C₄H₅BrF₄O and molecular weight is 224.98.

The other characteristics of 4-Bromo-3,3,4,4-tetrafluorobutan-1-ol can be summarized as: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.96; (6)ACD/BCF (pH 7.4): 7.96; (7)ACD/KOC (pH 5.5): 153.61; (8)ACD/KOC (pH 7.4): 153.61; (9)H bond acceptors: 1; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.394; (14)Molar Refractivity: 30.43 cm³; (15)Molar Volume: 127.1 cm³; (16)Polarizability: 12.06×10^-24cm³; (17)Surface Tension: 26.4 dyne/cm; (18)Density: 1.769 g/cm³; (19)Flash Point: 42.2 °C; (20)Enthalpy of Vaporization: 44.64 kJ/mol; (21)Boiling Point: 146.2 °C at 760 mmHg; (22)Vapour Pressure: 1.84 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. When you use it, please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:FC(F)(Br)C(F)(F)CCO
InChI:InChI=1/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2
InChIKey:RTTCOQHNKANLOS-UHFFFAOYAU
Std. InChI:InChI=1S/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2
Std. InChIKey:RTTCOQHNKANLOS-UHFFFAOYSA-N