CAS No.98244-48-5,(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98244-48-5
Name:	(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL
Article Data:	4

Formula:	C₄H₉BrO
Molecular Weight:	153.019
Synonyms:	(2S)-3-bromo-2-methylpropan-1-ol;1-propanol, 3-bromo-2-methyl-, (2S)-;
Density:	1.449 g/cm³
Boiling Point:	177.548 °C at 760 mmHg
Flash Point:	86.111 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	1.00970

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Specification

The 1-Propanol,3-bromo-2-methyl-, (2S)-, with the CAS registry number 98244-48-5, has the systematic name of (2S)-3-bromo-2-methylpropan-1-ol. It belongs to the following product categories: Small molecule; Heterocyclic Compounds; Alcohols; Chiral Building Blocks; Organic Building Blocks. And the molecular formula of the chemical is C₄H₉BrO.

The characteristics of 1-Propanol,3-bromo-2-methyl-, (2S)- are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 29.806 cm³; (15)Molar Volume: 105.627 cm³; (16)Polarizability: 11.816×10^-24cm³; (17)Surface Tension: 35.344 dyne/cm; (18)Density: 1.449 g/cm³; (19)Flash Point: 86.111 °C; (20)Enthalpy of Vaporization: 48.178 kJ/mol; (21)Boiling Point: 177.548 °C at 760 mmHg; (22)Vapour Pressure: 0.313 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C[C@H](CBr)CO
(2)InChI: InChI=1/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m1/s1
(3)InChIKey: KIBOHRIGZMLNNS-SCSAIBSYBQ