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CAS No.: | 32653-32-0 |
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Name: | (S)-2-CHLORO-N-BUTYRIC ACID |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C4H7ClO2 |
Molecular Weight: | 122.551 |
Synonyms: | (S)-(-)-2-Chlorobutanoic acid;(2S)-2-Chlorobutanoic acid; |
Density: | 1.213 g/cm3 |
Boiling Point: | 203.2 °C at 760 mmHg |
Flash Point: | 76.7 °C |
Hazard Symbols: | T |
Risk Codes: | R24/25; R36/37/38; R23/24/25 |
PSA: | 37.30000 |
LogP: | 1.08840 |
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The Butanoic acid,2-chloro-,(2S)-, with the CAS registry number of 32653-32-0, is also known as (S)-(-)-2-Chlorobutanoic acid. It belongs to the product categories of Building Blocks for Liquid Crystals; Carboxylic Acids (Chiral); Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Functional Materials; Synthetic Organic Chemistry. The molecular formula of this chemical is C4H7ClO2 and its molecular weight is 122.55. What's more, its systematic name is (2S)-2-Chlorobutanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about Butanoic acid,2-chloro-,(2S)- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.446; (8)Molar Refractivity: 26.95 cm3; (9)Molar Volume: 100.9 cm3; (10)Polarizability: 10.68×10-24 cm3; (11)Surface Tension: 36.9 dyne/cm; (12)Density: 1.213 g/cm3; (13)Flash Point: 76.7 °C; (14)Enthalpy of Vaporization: 48.43 kJ/mol; (15)Boiling Point: 203.2 °C at 760 mmHg; (16)Vapour Pressure: 0.116 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl[C@H](C(=O)O)CC
(2) InChI: InChI=1/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
(3) InChIKey: RVBUZBPJAGZHSQ-VKHMYHEABM