2-Butanol, 1,4-dibromo- supplier

Name
1,4-DIBROMO-2-BUTANOL
EINECS 243-029-6
CAS No. 19398-47-1
Article Data10
CAS DataBase
Density 1.951 g/cm³
Solubility
Melting Point
Formula C₄H₈Br₂O
Boiling Point 220.1 °C at 760 mmHg
Molecular Weight 231.915
Flash Point 116.5 °C
Transport Information
Appearance brown viscous liquid.
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 84192;w,w'-Dibromobutan-2-ol;1,4-Dibromo-2-butanol;2-Hydroxy-1,4-dibromobutane;
PSA 20.23000
LogP 1.52720

2-Butanol, 1,4-dibromo- 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,

Product Name

1,4-DIBROMO-2-BUTANOL

2-Butanol, 1,4-dibromo- Specification

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