1-Propanol,3-bromo-2-methyl-, (2S)- supplier

Name
(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL
EINECS
CAS No. 98244-48-5
Article Data4
CAS DataBase
Density 1.449 g/cm³
Solubility
Melting Point
Formula C₄H₉BrO
Boiling Point 177.548 °C at 760 mmHg
Molecular Weight 153.019
Flash Point 86.111 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2S)-3-bromo-2-methylpropan-1-ol;1-propanol, 3-bromo-2-methyl-, (2S)-;
PSA 20.23000
LogP 1.00970

1-Propanol,3-bromo-2-methyl-, (2S)- 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

Product Name

(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL

1-Propanol,3-bromo-2-methyl-, (2S)- Specification

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