CAS No.299-70-7,1,4-DIBROMO-2,3-BUTANEDIOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	299-70-7
Name:	1,4-DIBROMO-2,3-BUTANEDIOL
Article Data:	2

Formula:	C₄H₈Br₂O₂
Molecular Weight:	247.914
Synonyms:	2,3-Butanediol,1,4-dibromo-, (R,R)- (9CI);2,3-Butanediol,1,4-dibromo-, (2R,3R)-rel-;2,3-Butanediol, 1,4-dibromo-,DL- (8CI);DL-1,4-Dibromo-2,3-butanediol;DL-Dibromothreitol;NSC 75721;Rac-1,4-dibromo-2,3-butanediol;DL1,4-Dibromobutane-2,3-diol;
Density:	2.124 g/cm³
Melting Point:	82-84 °C(lit.)
Boiling Point:	365.3 °C at 760 mmHg
Flash Point:	174.7 °C
Appearance:	beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	40.46000
LogP:	0.49800

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- China (Mainland)(11)
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Specification

The 2,3-Butanediol, 1,4-dibromo-, (theta,theta)-(+/-)-, with the CAS registry number 299-70-7, is also known as Rac-1,4-dibromo-2,3-butanediol. This chemical's molecular formula is C₄H₈Br₂O₂ and molecular weight is 247.91. What's more, its systematic name is (2S,3S)-1,4-dibromobutane-2,3-diol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxidants, strong acids and bases.

Physical properties of 2,3-Butanediol, 1,4-dibromo-, (theta,theta)-(+/-)- are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.37; (8)ACD/KOC (pH 7.4): 32.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 39.03 cm³; (15)Molar Volume: 116.6 cm³; (16)Polarizability: 15.47×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 2.124 g/cm³; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 70.79 kJ/mol; (21)Boiling Point: 365.3 °C at 760 mmHg; (22)Vapour Pressure: 8.09E-07 mmHg at 25°C.

Uses of 2,3-Butanediol, 1,4-dibromo-, (theta,theta)-(+/-)-: it can be used to produce (+-)-trans-4,5-bis(bromomethyl)-1,3-dioxolan-2-one and (+-)-trans-5,6-bis(bromomethyl)-1,4-dioxane-2,3-dione at the ambient temperature. It will need reagent triethylamine and solvent CH₂Cl₂ with the reaction time of 10 min. The yield is about 58%.

2,3-Butanediol, 1,4-dibromo-, (theta,theta)-(+/-)- can be used to produce (+-)-trans-4,5-bis(bromomethyl)-1,3-dioxolan-2-one and (+-)-trans-5,6-bis(bromomethyl)-1,4-dioxane-2,3-dione at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
It is irritating to respiratory system and skin. It has the risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC[C@@H](O)[C@H](O)CBr
(2)InChI: InChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4-/m1/s1
(3)InChIKey: XOWDQAHYPSENAC-QWWZWVQMSA-N