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19398-47-1

Basic Information
CAS No.: 19398-47-1
Name: 1,4-DIBROMO-2-BUTANOL
Article Data: 10
Molecular Structure:
Molecular Structure of 19398-47-1 (1,4-DIBROMO-2-BUTANOL)
Formula: C4H8Br2O
Molecular Weight: 231.915
Synonyms: NSC 84192;w,w'-Dibromobutan-2-ol;1,4-Dibromo-2-butanol;2-Hydroxy-1,4-dibromobutane;
EINECS: 243-029-6
Density: 1.951 g/cm3
Boiling Point: 220.1 °C at 760 mmHg
Flash Point: 116.5 °C
Appearance: brown viscous liquid.
PSA: 20.23000
LogP: 1.52720
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Specification

The 2-Butanol, 1,4-dibromo-, with the CAS registry number 19398-47-1, is also known as 1,4-Dibromo-2-butanol. It belongs to the product categories of Alcohols; C2 to C6; Oxygen Compounds. Its EINECS registry number is 243-029-6. This chemical's molecular formula is C4H8Br2O and molecular weight is 231.91. Its IUPAC name is called 1,4-dibromobutan-2-ol. What's more, this chemical is clear yellow-brown to brown liquid.

Physical properties of 2-Butanol, 1,4-dibromo-: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.19; (5)ACD/BCF (pH 7.4): 5.19; (6)ACD/KOC (pH 5.5): 113.14; (7)ACD/KOC (pH 7.4): 113.14; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 37.53 cm3; (13)Molar Volume: 118.8 cm3; (14)Surface Tension: 46.1 dyne/cm; (15)Density: 1.951 g/cm3; (16)Flash Point: 116.5 °C; (17)Enthalpy of Vaporization: 53.09 kJ/mol; (18)Boiling Point: 220.1 °C at 760 mmHg; (19)Vapour Pressure: 0.024 mmHg at 25°C.

Uses of 2-Butanol, 1,4-dibromo-: it can be used to produce 1-phenyl-pyrrolidin-3-ol at temperature of 150 °C. This reaction will need reagent K2CO3 and (EtO)3PO with reaction time of 6 hours. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CBr)C(CBr)O
(2)InChI: InChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
(3)InChIKey: PSSRAPMBSMSACN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02245,