CAS No.137490-63-2,(S)-3-Bromo-1,2-propanediol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	137490-63-2
Name:	(S)-3-Bromo-1,2-propanediol
Article Data:	3

Formula:	C₃H₇BrO₂
Molecular Weight:	154.99
Synonyms:	1,2-Propanediol,3-bromo-, (S)-;(S)-(+)-3-Bromo-1,2-propanediol;(S)-3-Bromo-1,2-propanediol;
Density:	1.789 g/cm³
Boiling Point:	254 °C at 760 mmHg
Flash Point:	126.5 °C
PSA:	40.46000
LogP:	-0.26550

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Specification

The systematic name of (S)-3-Bromo-1,2-propanediol is (2S)-3-bromopropane-1,2-diol. With the CAS registry number 137490-63-2, it is also named as (S)-(+)-3-Bromo-1,2-propanediol. The product's category is Chiral. In addition, its molecular formula is C₃H₇BrO₂ and its molecular weight is 154.99.

The other characteristics of (S)-3-Bromo-1,2-propanediol can be summarized as: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.81; (8)ACD/KOC (pH 7.4): 8.81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 26.7 cm³; (15)Molar Volume: 86.6 cm³; (16)Polarizability: 10.58×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.789 g/cm³; (19)Flash Point: 126.5 °C; (20)Enthalpy of Vaporization: 57.08 kJ/mol; (21)Boiling Point: 254 °C at 760 mmHg; (22)Vapour Pressure: 0.00273 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: BrC[C@@H](O)CO
(2)InChI: InChI=1/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
(3)InChIKey: SIBFQOUHOCRXDL-GSVOUGTGBX
(4)Std. InChI: InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
(5)Std. InChIKey: SIBFQOUHOCRXDL-GSVOUGTGSA-N