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| CAS No.: | 26782-74-1 |
|---|---|
| Name: | (S)-2-CHLORO-3-METHYLBUTYRIC ACID |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C5H9ClO2 |
| Molecular Weight: | 136.578 |
| Synonyms: | Butanoicacid, 2-chloro-3-methyl-, (S)-;Butyric acid, 2-chloro-3-methyl-, (S)- (8CI);(S)-(+)-2-Chloro-3-methylbutanoic acid;(S)-2-Chloro-3-methylbutanoic acid; |
| Density: | 1.159 g/cm3 |
| Boiling Point: | 210.328 °C at 760 mmHg |
| Flash Point: | 81.004 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 |
| PSA: | 37.30000 |
| LogP: | 1.33440 |
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Specification
This chemical is called Butanoic acid, 2-chloro-3-methyl-, (2S)-, and its CAS registry number is 26782-74-1. With the molecular formula of C5H9ClO2, its product categories are Building Blocks for Liquid Crystals; Carboxylic Acids (Chiral); Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Functional Materials; Synthetic Organic Chemistry. In addition, it should be stored at 2-8 °C.
Other characteristics of the Butanoic acid, 2-chloro-3-methyl-, (2S)- can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 31.54 cm3; (15)Molar Volume: 117.8 cm3; (16)Polarizability: 12.5×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 81 °C; (20)Enthalpy of Vaporization: 49.22 kJ/mol; (21)Boiling Point: 210.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0768 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Cl[C@H](C(=O)O)C(C)C
2.InChI: InChI=1/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1
3.InChIKey: DDTJFSPKEIAZAM-BYPYZUCNBT