Introduction：Basic information about CAS 3724-10-5|2-(Methylsulfanyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(Methylsulfanyl)benzoic acid |
|---|
| CAS Number | 3724-10-5 | Molecular Weight | 168.213 |
|---|
| Density | 1.3±0.1 g/cm3 | Boiling Point | 297.4±23.0 °C at 760 mmHg |
|---|
| Molecular Formula | C8H8O2S | Melting Point | 169-173 °C(lit.) |
|---|
| MSDS | ChineseUSA | Flash Point | 133.7±22.6 °C |
|---|
Names
| Name | 2-(methylthio)benzoic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|
| Boiling Point | 297.4±23.0 °C at 760 mmHg |
|---|
| Melting Point | 169-173 °C(lit.) |
|---|
| Molecular Formula | C8H8O2S |
|---|
| Molecular Weight | 168.213 |
|---|
| Flash Point | 133.7±22.6 °C |
|---|
| Exact Mass | 168.024506 |
|---|
| PSA | 62.60000 |
|---|
| LogP | 2.58 |
|---|
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
|---|
| Index of Refraction | 1.613 |
|---|
| InChIKey | LWJQGKJCZOGGPJ-UHFFFAOYSA-N |
|---|
| SMILES | CSc1ccccc1C(=O)O |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH4390000
- CHEMICAL NAME :
- Benzoic acid, o-(methylthio)-
- CAS REGISTRY NUMBER :
- 3724-10-5
- BEILSTEIN REFERENCE NO. :
- 0972385
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H8-O2-S
- MOLECULAR WEIGHT :
- 168.22
- WISWESSER LINE NOTATION :
- QVR BS1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- BSRSA6 Bulletin de la Societe Royale des Sciences de Liege. (Societe Royale des Sciences de Liege, Universite de Liege, 15, Ave des Tilleuls, B-4000 Liege, Belgium) V.1- 1932- Volume(issue)/page/year: 47,202,1978
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2250 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- BSRSA6 Bulletin de la Societe Royale des Sciences de Liege. (Societe Royale des Sciences de Liege, Universite de Liege, 15, Ave des Tilleuls, B-4000 Liege, Belgium) V.1- 1932- Volume(issue)/page/year: 47,202,1978
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|
| Hazard Codes | Xi: Irritant; |
|---|
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | S26-S37 |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 3 |
|---|
| RTECS | DH4390000 |
|---|
| HS Code | 2930909090 |
|---|
Customs
| 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% |
|---|
Synonyms
| 2-(Methylthio)benzoic Acid |
| 2-methylsulfanylbenzoic acid |
| 2-(Methylsulfanyl)benzoic acid |
| MFCD00029934 |
| Benzoic acid, 2-(methylthio)- |
