Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Butanol, 1,4-dibromo- |
EINECS | 243-029-6 |
CAS No. | 19398-47-1 | Density | 1.951 g/cm3 |
PSA | 20.23000 | LogP | 1.52720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H8Br2O | Boiling Point | 220.1 °C at 760 mmHg |
Molecular Weight | 231.915 | Flash Point | 116.5 °C |
Transport Information | N/A | Appearance | brown viscous liquid. |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 84192;w,w'-Dibromobutan-2-ol;1,4-Dibromo-2-butanol;2-Hydroxy-1,4-dibromobutane; |
Article Data | 10 |
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, |