Butanoic acid,4,4,4-trichloro-3-hydroxy
Butanoic acid,4,4,4-trichloro-3-hydroxy structure
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Common Name | Butanoic acid,4,4,4-trichloro-3-hydroxy | ||
|---|---|---|---|---|
| CAS Number | 13159-46-1 | Molecular Weight | 207.44000 | |
| Density | 1.71g/cm3 | Boiling Point | 310.4ºC at 760mmHg | |
| Molecular Formula | C4H5Cl3O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 141.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,4,4-trichloro-3-hydroxybutanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.71g/cm3 |
|---|---|
| Boiling Point | 310.4ºC at 760mmHg |
| Molecular Formula | C4H5Cl3O3 |
| Molecular Weight | 207.44000 |
| Flash Point | 141.5ºC |
| Exact Mass | 205.93000 |
| PSA | 57.53000 |
| LogP | 1.19220 |
| Vapour Pressure | 5.38E-05mmHg at 25°C |
| Index of Refraction | 1.541 |
| InChIKey | PNRIZWCHOZUISE-UHFFFAOYSA-N |
| SMILES | O=C(O)CC(O)C(Cl)(Cl)Cl |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918199090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: v.Auwers; Wissebach Chemische Berichte, 1923 , vol. 56, p. 737 |
|
~72%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: Zaitseva, G. S.; Livantsova, L. I.; Bekker, R. A.; Baukov, Yu. I.; Lutsenko, I. F. J. Gen. Chem. USSR (Engl. Transl.), 1983 , vol. 53, # 9 p. 2068 - 2077,1867 - 1874 |
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~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: v.Garzarolli-Thurnlackh Monatshefte fuer Chemie, 1891 , vol. 12, p. 563 |
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~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: Ohse,H. et al. Monatshefte fuer Chemie, 1967 , vol. 98, p. 2138 - 2147 |
|
~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: Kashik,T.V. et al. Zhurnal Organicheskoi Khimii, 1971 , vol. 7, p. 1582 - 1586,1643 - 1647 |
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~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: McKenzie; Plenderleith Journal of the Chemical Society, 1923 , vol. 123, p. 1093 |
|
~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: Garzarolli-Thurnlackh Monatshefte fuer Chemie, 1891 , vol. 12, p. 557 |
|
~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: v.Auwers; Schmidt Chemische Berichte, 1913 , vol. 46, p. 491 |
|
~%
Butanoic acid,4... CAS#:13159-46-1 |
| Literature: Doebner; Segelitz Chemische Berichte, 1905 , vol. 38, p. 2733 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 5 | |
CAS#:19487-29-7
CAS#:617-48-1
CAS#:19486-93-2
CAS#:42134-33-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918199090 |
|---|---|
| Summary | 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Trichlormethyl-3-hydroxy-propionsaeure |
| 4,4,4-trichloro-3-hydroxybutyric acid |
| butanoic acid,4,4,4-trichloro-3-hydroxy |
| 4,4,4-Trichlor-3-hydroxy-buttersaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: CAS number of 4,4,4-trichloro-3-hydroxybutanoic acid is 13159-46-1. |
| Q: What is the molecular weight of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: Molecular weight of 4,4,4-trichloro-3-hydroxybutanoic acid is 207.44000. |
| Q: What is the English name of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: The English name of 4,4,4-trichloro-3-hydroxybutanoic acid is 4,4,4-trichloro-3-hydroxybutanoic acid. |
| Q: What is the polar surface area (PSA) of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: Polar surface area (PSA) of 4,4,4-trichloro-3-hydroxybutanoic acid is 57.53000. |
| Q: What are the downstream products of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: Related downstream products(CAS) of 4,4,4-trichloro-3-hydroxybutanoic acid: 19487-29-7;617-48-1;19486-93-2;42134-33-8;7647-01-0. |
| Q: What is the molecular formula of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: Molecular formula of 4,4,4-trichloro-3-hydroxybutanoic acid is C4H5Cl3O3. |
| Q: What is the LogP of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: LogP of 4,4,4-trichloro-3-hydroxybutanoic acid is 1.19220. |
| Q: What is the Chinese name of 13159-46-1? |
| A: Chinese name of 13159-46-1 is 13159-46-1. |
| Q: What are the upstream materials of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: Related upstream materials(CAS) of 4,4,4-trichloro-3-hydroxybutanoic acid: 302-17-0;141-82-2;344409-08-1;75-87-6;5895-35-2;34301-07-0;130-95-0;64-19-7;7647-01-0;27971-92-2. |
| Q: What is the SMILES notation of 4,4,4-trichloro-3-hydroxybutanoic acid? |
| A: SMILES notation of 4,4,4-trichloro-3-hydroxybutanoic acid is O=C(O)CC(O)C(Cl)(Cl)Cl. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |