CAS No.138249-07-7,(R)-1-TOSYLOXY-3-BUTEN-2-OL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	138249-07-7
Name:	(R)-1-TOSYLOXY-3-BUTEN-2-OL
Article Data:	6

Formula:	C₁₁H₁₄O₄S
Molecular Weight:	242.296
Synonyms:	3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (R)-;
Density:	1.234 g/cm³
Melting Point:	58-63 °C
Boiling Point:	398.3 °C at 760 mmHg
Flash Point:	194.7 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26 24 25
PSA:	71.98000
LogP:	2.32800

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Specification

The 3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)- is an organic compound with the formula C₁₁H₁₄O₄S. The systematic name of this chemical is (2R)-2-hydroxybut-3-en-1-yl 4-methylbenzenesulfonate. With the CAS registry number 138249-07-7, it is also named as (R)-3-Butene-1,2-diol 1-tosylate. The product's category is Chiral. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place at temperature of 2 - 8 °C.

Physical properties about 3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)- are: (1)ACD/LogP: 1.57 ; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.15; (5)ACD/BCF (pH 7.4): 9.15; (6)ACD/KOC (pH 5.5): 169.72; (7)ACD/KOC (pH 7.4): 169.72; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 60.98 Å²; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 61.73 cm³; (14)Molar Volume: 196.3 cm³; (15)Polarizability: 24.47×10^-24cm³; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.234 g/cm³; (18)Flash Point: 194.7 °C; (19)Enthalpy of Vaporization: 68.43 kJ/mol; (20)Boiling Point: 398.3 °C at 760 mmHg; (21)Vapour Pressure: 4.65E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC[C@H](O)\C=C)c1ccc(cc1)C
(2)InChI: InChI=1/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m1/s1
(3)InChIKey: YQSCDBZHHLIPOI-SNVBAGLBBA
(4)Std. InChI: InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m1/s1
(5)Std. InChIKey: YQSCDBZHHLIPOI-SNVBAGLBSA-N