Thiobenzoic acid
Thiobenzoic acid structure
|
Common Name | Thiobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 98-91-9 | Molecular Weight | 138.18700 | |
| Density | 1.174 g/mL at 25 °C(lit.) | Boiling Point | 122 °C30 mm Hg(lit.) | |
| Molecular Formula | C7H6OS | Melting Point | 15-18 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | >230 °F | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Thiobenzoic 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 | 1.174 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 122 °C30 mm Hg(lit.) |
| Melting Point | 15-18 °C(lit.) |
| Molecular Formula | C7H6OS |
| Molecular Weight | 138.18700 |
| Flash Point | >230 °F |
| Exact Mass | 138.01400 |
| PSA | 55.87000 |
| LogP | 1.75660 |
| Index of Refraction | n20/D 1.605(lit.) |
| InChIKey | UIJGNTRUPZPVNG-UHFFFAOYSA-N |
| SMILES | O=C(S)c1ccccc1 |
| Storage condition | 2-8°C |
| Water Solubility | insoluble |
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 | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S28-S36-S24/25 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DH6839000 |
| HS Code | 29309070 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:98-88-4
CAS#:65-85-0
CAS#:644-32-6
CAS#:618-32-6
CAS#:62-55-5
CAS#:93-97-0
CAS#:1850-15-3
CAS#:1356496-19-9
CAS#:936-61-8
CAS#:150-60-7
CAS#:52772-11-9
CAS#:3393-96-2
CAS#:39251-01-9
CAS#:55-21-0
CAS#:455-32-3
CAS#:2992-86-1
CAS#:94-50-8
CAS#:939-52-6
CAS#:139-66-2
CAS#:1884-68-0This 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.
|
Far- and near-field properties of gold nanoshells studied by photoacoustic and surface-enhanced Raman spectroscopies.
Phys. Chem. Chem. Phys. 17 , 21190-7, (2015) Gold nanoshells, with a silica core and different core and shell dimensions, have been extensively investigated. Optical far-field properties, namely extinction and absorption, have been separately de... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 h...
Source: ChEMBL
Target: Carbonic anhydrase 7
External Id: CHEMBL1960512
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Name: Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins to 72 h...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL1960519
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|
Name: Inhibition of GST-tagged mouse Mcl-1 (152 to 309 residues)/FITC-labelled Bim (unknown...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5384359
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| benzenecarbothioic S-acid |
| EINECS 202-712-9 |
| MFCD00004852 |
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 Thiobenzoic acid? |
| A: CAS number of Thiobenzoic acid is 98-91-9. |
| Q: What is the polar surface area (PSA) of Thiobenzoic acid? |
| A: Polar surface area (PSA) of Thiobenzoic acid is 55.87000. |
| Q: What is the English name of Thiobenzoic acid? |
| A: The English name of Thiobenzoic acid is Thiobenzoic acid. |
| Q: What is the SMILES notation of Thiobenzoic acid? |
| A: SMILES notation of Thiobenzoic acid is O=C(S)c1ccccc1. |
| Q: What are the storage conditions for Thiobenzoic acid? |
| A: Storage conditions for Thiobenzoic acid: 2-8°C. |
| Q: What are the upstream materials of Thiobenzoic acid? |
| A: Related upstream materials(CAS) of Thiobenzoic acid: 98-88-4;65-85-0;644-32-6;618-32-6;62-55-5;93-97-0;1850-15-3;1356496-19-9;936-61-8;150-60-7. |
| Q: What is the melting point of Thiobenzoic acid? |
| A: Melting point of Thiobenzoic acid is 15-18 °C(lit.). |
| Q: What is the molecular weight of Thiobenzoic acid? |
| A: Molecular weight of Thiobenzoic acid is 138.18700. |
| Q: What are the downstream products of Thiobenzoic acid? |
| A: Related downstream products(CAS) of Thiobenzoic acid: 52772-11-9;3393-96-2;39251-01-9;55-21-0;455-32-3;2992-86-1;94-50-8;939-52-6;139-66-2;1884-68-0. |
| Q: What is the safety information for Thiobenzoic acid? |
| A: Safety information for Thiobenzoic acid: S26-S28-S36-S24/25. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: Thiobenzoic acid
- Price: Check
- Purity: 90.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: Thiobenzoic acid
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: Thiobenzoic acid
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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