Cas no 84918-96-7 ((R)-2-CHLORO-3-METHYLBUTYRIC ACID)
84918-96-7 structure
Product Name:(R)-2-CHLORO-3-METHYLBUTYRIC ACID
CAS No:84918-96-7
MF:C5H9ClO2
MW:136.576761007309
CID:826866
PubChem ID:15564203
Update Time:2025-04-19
(R)-2-CHLORO-3-METHYLBUTYRIC ACID Chemical and Physical Properties
Names and Identifiers
-
- (R)-2-CHLORO-3-METHYLBUTYRIC ACID
- TQP0749
- (R)-2-chloro-3-methylbutanoic acid
- AKOS006377411
- (R)-2-Chloro-3-methylbutyric acid, technical, >=90% (GC)
- SCHEMBL7813158
- 84918-96-7
- (2R)-2-Chloro-3-methylbutanoic acid
- ?R?-2-Chloro-3-methylbutyric acid
- DTXSID80574315
-
- Inchi： 1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m1/s1
- InChI Key： DDTJFSPKEIAZAM-SCSAIBSYSA-N
- SMILES： Cl[C@@H](C(=O)O)C(C)C
Computed Properties
- Exact Mass: 136.0291072g/mol
- Monoisotopic Mass: 136.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 90.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: Bright yellow liquid
- Density: 1.144?g/mL?at 20?°C(lit.)
- Boiling Point: 210.3°C at 760 mmHg
- Flash Point: 81°C
- Refractive Index: n20/D 1.443
- PSA: 37.30000
- LogP: 1.33440
- Solubility: Not determined
(R)-2-CHLORO-3-METHYLBUTYRIC ACID Security Information
- Hazardous Material transportation number：UN 3265 8/PG 3
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： 26-36/37/39-45
-
Hazardous Material Identification：
- Storage Condition：2-8°C
(R)-2-CHLORO-3-METHYLBUTYRIC ACID Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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