Pentanoic acid,2-chloro-3-methyl-, (2S,3S)- supplier

Name
(2S,3S)-2-CHLORO-3-METHYL-N-VALERIC ACID
EINECS
CAS No. 32653-34-2
Article Data17
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point
Formula C₆H₁₁ClO₂
Boiling Point 228.02 °C at 760 mmHg
Molecular Weight 150.605
Flash Point 91.703 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentanoicacid, 2-chloro-3-methyl-, [S-(R*,R*)]-;Valeric acid, 2-chloro-3-methyl-,(2S,3S)- (8CI);(2S,3S)-2-Chloro-3-methylpentanoic acid;(S,S)-2-Chloro-3-methylpentanoic acid;
PSA 37.30000
LogP 1.72450

Pentanoic acid,2-chloro-3-methyl-, (2S,3S)- Specification

The CAS register number of Pentanoic acid,2-chloro-3-methyl-, (2S,3S)- is 32653-34-2. It also can be called as (S,S)-2-Chloro-3-methylpentanoic acid and the systematic name about this chemical is (2S,3S)-2-chloro-3-methylpentanoic acid. The molecular formula about this chemical is C₆H₁₁ClO₂ and the molecular weight is 150.6. It belongs to the following product categories which include Building Blocks for Liquid Crystals; Carboxylic Acids (Chiral); Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Functional Materials; Synthetic Organic Chemistry and so on.

Physical properties about Pentanoic acid,2-chloro-3-methyl-, (2S,3S)- are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3Å²; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 36.177 cm³; (14)Molar Volume: 134.34 cm³; (15)Polarizability: 14.342x10^-24cm³; (16)Surface Tension: 34.621 dyne/cm; (17)Enthalpy of Vaporization: 51.181 kJ/mol; (18)Boiling Point: 228.02 °C at 760 mmHg; (19)Vapour Pressure: 0.027 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H](C(=O)O)[C@@H](C)CC
(2)InChI: InChI=1/C6H11ClO2/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
(3)InChIKey: QMYSXXQDOZTXAE-WHFBIAKZBY
(4)Std. InChI: InChI=1S/C6H11ClO2/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
(5)Std. InChIKey: QMYSXXQDOZTXAE-WHFBIAKZSA-N

Product Name

(2S,3S)-2-CHLORO-3-METHYL-N-VALERIC ACID

Pentanoic acid,2-chloro-3-methyl-, (2S,3S)- Specification

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