Ethanethioic acid,S-(4-bromophenyl) ester
Ethanethioic acid,S-(4-bromophenyl) ester structure
|
Common Name | Ethanethioic acid,S-(4-bromophenyl) ester | ||
|---|---|---|---|---|
| CAS Number | 28122-76-1 | Molecular Weight | 231.11000 | |
| Density | 1.57g/cm3 | Boiling Point | 96ºC1 mm Hg(lit.) | |
| Molecular Formula | C8H7BrOS | Melting Point | 51-55ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 128.7ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | S-(4-bromophenyl) ethanethioate |
|---|---|
| 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 | 1.57g/cm3 |
|---|---|
| Boiling Point | 96ºC1 mm Hg(lit.) |
| Melting Point | 51-55ºC(lit.) |
| Molecular Formula | C8H7BrOS |
| Molecular Weight | 231.11000 |
| Flash Point | 128.7ºC |
| Exact Mass | 229.94000 |
| PSA | 42.37000 |
| LogP | 3.08770 |
| Vapour Pressure | 0.00223mmHg at 25°C |
| Index of Refraction | 1.622 |
| InChIKey | ZILDXZXTWVSRDE-UHFFFAOYSA-N |
| SMILES | CC(=O)Sc1ccc(Br)cc1 |
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 | H317 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 22-43 |
| Safety Phrases | 36 |
| RIDADR | UN 3335 |
| RTECS | AJ5900000 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~94%
Ethanethioic ac... CAS#:28122-76-1 |
| Literature: Ahmad, Saeed; Iqbal, Javed Tetrahedron Letters, 1986 , vol. 27, # 32 p. 3791 - 3794 |
|
~87%
Ethanethioic ac... CAS#:28122-76-1 |
| Literature: Ahmad, Saeed; Iqbal, Javed Tetrahedron Letters, 1986 , vol. 27, # 32 p. 3791 - 3794 |
|
~91%
Ethanethioic ac... CAS#:28122-76-1 |
| Literature: Blaszczyk, Alfred; Elbing, Mark; Mayor, Marcel Organic and Biomolecular Chemistry, 2004 , vol. 2, # 19 p. 2722 - 2724 |
|
~92%
Ethanethioic ac... CAS#:28122-76-1 |
| Literature: Dan, Weixing; Deng, Hongjuan; Chen, Jiuxi; Liu, Miaochang; Ding, Jinchang; Wu, Huayue Tetrahedron, 2010 , vol. 66, # 37 p. 7384 - 7388 |
|
~62%
Ethanethioic ac... CAS#:28122-76-1 |
| Literature: Liu, Rui; Li, Yu-Hao; Chang, Jin; Xiao, Qi; Zhu, Hong-Jun Asian Journal of Chemistry, 2010 , vol. 22, # 4 p. 3059 - 3064 |
|
~%
Ethanethioic ac... CAS#:28122-76-1 |
| Literature: Stuhr-Hansen, Nicolai Synthetic Communications, 2003 , vol. 33, # 4 p. 641 - 646 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 4 | |
CAS#:60-35-5
CAS#:26972-20-3
CAS#:64-19-7This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-substituted phenylthiol acetate |
| acetyl 4-bromo-thiophenolate |
| 4-BrC6H4SAc |
| MFCD05865194 |
| thioacetic acid S-4-bromophenyl ester |
| WLN: ER DSV1 |
| 1-(acetylthio)-4-bromobenzene |
| Ethanethioic acid,S-(4-bromophenyl) ester |
| S-4-bromophenyl ethanethioate |
| S-(p-Bromophenyl) thioacetate |
| ACETIC ACID,THIO-,S-(p-BROMOPHENYL) ESTER |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of S-(4-bromophenyl) ethanethioate? |
| A: Boiling point of S-(4-bromophenyl) ethanethioate is 96ºC1 mm Hg(lit.). |
| Q: What is the safety information for S-(4-bromophenyl) ethanethioate? |
| A: Safety information for S-(4-bromophenyl) ethanethioate: 36. |
| Q: What is the LogP of S-(4-bromophenyl) ethanethioate? |
| A: LogP of S-(4-bromophenyl) ethanethioate is 3.08770. |
| Q: What is the InChIKey of S-(4-bromophenyl) ethanethioate? |
| A: InChIKey of S-(4-bromophenyl) ethanethioate is ZILDXZXTWVSRDE-UHFFFAOYSA-N. |
| Q: What is the English name of S-(4-bromophenyl) ethanethioate? |
| A: The English name of S-(4-bromophenyl) ethanethioate is S-(4-bromophenyl) ethanethioate. |
| Q: What is the molecular formula of S-(4-bromophenyl) ethanethioate? |
| A: Molecular formula of S-(4-bromophenyl) ethanethioate is C8H7BrOS. |
| Q: What are the downstream products of S-(4-bromophenyl) ethanethioate? |
| A: Related downstream products(CAS) of S-(4-bromophenyl) ethanethioate: 60-35-5;26972-20-3;64-19-7;106-53-6. |
| Q: What are the upstream materials of S-(4-bromophenyl) ethanethioate? |
| A: Related upstream materials(CAS) of S-(4-bromophenyl) ethanethioate: 108-24-7;106-53-6;75-36-5;25752-90-3;5335-84-2;106-40-1;10387-40-3. |
| Q: What is the polar surface area (PSA) of S-(4-bromophenyl) ethanethioate? |
| A: Polar surface area (PSA) of S-(4-bromophenyl) ethanethioate is 42.37000. |
| Q: What is the CAS number of S-(4-bromophenyl) ethanethioate? |
| A: CAS number of S-(4-bromophenyl) ethanethioate is 28122-76-1. |
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. |