Pentachlorothiophenol
Pentachlorothiophenol structure
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Common Name | Pentachlorothiophenol | ||
|---|---|---|---|---|
| CAS Number | 133-49-3 | Molecular Weight | 282.402 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 351.3±37.0 °C at 760 mmHg | |
| Molecular Formula | C6HCl5S | Melting Point | 223-227 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 144.6±25.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: Pentachlorothiophenol, Chinese name: 五氯苯硫酚, CAS number: 133-49-3, molecular formula: C6HCl5S, molecular weight: 282.402. Appearance: grey-white to white powder, melting point: 223-227°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Pentachlorothiophenol |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 351.3±37.0 °C at 760 mmHg |
| Melting Point | 223-227 °C(lit.) |
| Molecular Formula | C6HCl5S |
| Molecular Weight | 282.402 |
| Flash Point | 144.6±25.9 °C |
| Exact Mass | 279.824158 |
| PSA | 38.80000 |
| LogP | 5.43 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.648 |
| InChIKey | LLMLGZUZTFMXSA-UHFFFAOYSA-N |
| SMILES | Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | R20/22 |
| RIDADR | UN 3335 |
| WGK Germany | 3 |
| RTECS | DC1925000 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~19%
Pentachlorothio... CAS#:133-49-3 |
| Literature: Synthetic Communications, , vol. 22, # 22 p. 3277 - 3284 |
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~55%
Pentachlorothio... CAS#:133-49-3 |
| Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 20, # 12 p. 1086 - 1087 |
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~24%
Pentachlorothio... CAS#:133-49-3
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| Literature: Liebigs Annalen der Chemie, , # 12 p. 1960 - 1971 |
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~%
Pentachlorothio... CAS#:133-49-3 |
| Literature: Liebigs Annalen der Chemie, , # 12 p. 1960 - 1971 |
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~%
Pentachlorothio... CAS#:133-49-3
Detail
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| Literature: Canadian Journal of Chemistry, , vol. 51, p. 1870 - 1879 |
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~%
Pentachlorothio... CAS#:133-49-3 |
| Literature: Journal of the Chemical Society, , p. 1155 |
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~%
Pentachlorothio... CAS#:133-49-3 |
| Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 35, # 11 p. 2055 - 2062,2046 - 2052 |
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~%
Pentachlorothio... CAS#:133-49-3
Detail
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| Literature: Canadian Journal of Chemistry, , vol. 51, p. 1870 - 1879 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:26120-85-4
CAS#:1825-19-0
CAS#:77876-27-8
CAS#:78074-83-6
CAS#:67341-49-5
CAS#:82044-22-2![Acetic acid, [ (pentachlorophenyl)thio] structure](https://image.chemsrc.com/caspic/154/85-20-1.png)
CAS#:85-20-1![Benzene,1,2,3,4,5-pentachloro-6-[(2-phenylethynyl)thio] structure](https://image.chemsrc.com/caspic/260/92030-34-7.png)
CAS#:92030-34-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Sex-related difference in hepatic glutathione conjugation of hexachlorobenzene in the rat.
Toxicol. Appl. Pharmacol. 112(2) , 229-34, (1992) Hexachlorobenzene (HCB) induces hepatic porphyria and liver cancer in female rats, whereas toxicity is minimal in male rats. HCB is biotransformed to sulfur-containing metabolites originating from con... |
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Effect of estradiol on the induction of porphyria by hexachlorobenzene in the rat.
Biochem. Pharmacol. 54(1) , 19-25, (1997) Hexachlorobenzene (HCB) is porphyrinogenic in adult female but not in male rats. This study aimed to assess the role of 17beta-estradiol in the induction of porphyria by HCB in both sexes by adding or... |
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Conversion products of hexachlorobenzene and their role in the disturbance of the porphyrin pathway in rats.
Int. J. Biochem. 12(5-6) , 1003-6, (1980)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Pentachlorothiophenol |
| 2,3,4,5,6-pentachlorobenzenethiol |
| EINECS 205-107-8 |
| Pentachlorobenzenethiol |
| MFCD00059146 |
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 Pentachlorothiophenol? |
| A: CAS number of Pentachlorothiophenol is 133-49-3. |
| Q: What is the polar surface area (PSA) of Pentachlorothiophenol? |
| A: Polar surface area (PSA) of Pentachlorothiophenol is 38.80000. |
| Q: What is the English name of Pentachlorothiophenol? |
| A: The English name of Pentachlorothiophenol is Pentachlorothiophenol. |
| Q: What are the downstream products of Pentachlorothiophenol? |
| A: Related downstream products(CAS) of Pentachlorothiophenol: 19815-92-0;26120-85-4;22441-21-0;1825-19-0;77876-27-8;78074-83-6;67341-49-5;82044-22-2;85-20-1;92030-34-7. |
| Q: What is the molecular formula of Pentachlorothiophenol? |
| A: Molecular formula of Pentachlorothiophenol is C6HCl5S. |
| Q: What is the InChIKey of Pentachlorothiophenol? |
| A: InChIKey of Pentachlorothiophenol is LLMLGZUZTFMXSA-UHFFFAOYSA-N. |
| Q: What are the upstream materials of Pentachlorothiophenol? |
| A: Related upstream materials(CAS) of Pentachlorothiophenol: 118-74-1;82-68-8;22441-28-7;19815-92-0;75-28-5;527-20-8;319-87-9;110-82-7. |
| Q: What is the melting point of Pentachlorothiophenol? |
| A: Melting point of Pentachlorothiophenol is 223-227 °C(lit.). |
| Q: What is the molecular weight of Pentachlorothiophenol? |
| A: Molecular weight of Pentachlorothiophenol is 282.402. |
| Q: What is the boiling point of Pentachlorothiophenol? |
| A: Boiling point of Pentachlorothiophenol is 351.3±37.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |