Introduction：Basic information about CAS 22068-49-1|Phenol,4-(1,3-dithiolan-2-yl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phenol,4-(1,3-dithiolan-2-yl)- |
|---|
| CAS Number | 22068-49-1 | Molecular Weight | 198.30500 |
|---|
| Density | 1.319g/cm3 | Boiling Point | 376.4ºC at 760mmHg |
|---|
| Molecular Formula | C9H10OS2 | Melting Point | 114 °C |
|---|
| MSDS | / | Flash Point | 183ºC |
|---|
Names
| Name | 4-(1,3-dithiolan-2-yl)phenol |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.319g/cm3 |
|---|
| Boiling Point | 376.4ºC at 760mmHg |
|---|
| Melting Point | 114 °C |
|---|
| Molecular Formula | C9H10OS2 |
|---|
| Molecular Weight | 198.30500 |
|---|
| Flash Point | 183ºC |
|---|
| Exact Mass | 198.01700 |
|---|
| PSA | 70.83000 |
|---|
| LogP | 2.87080 |
|---|
| Vapour Pressure | 3.35E-06mmHg at 25°C |
|---|
| Index of Refraction | 1.675 |
|---|
| InChIKey | LTNPCGWCUVDEEY-UHFFFAOYSA-N |
|---|
| SMILES | Oc1ccc(C2SCCS2)cc1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SL3540500
- CHEMICAL NAME :
- Phenol, p-(1,3-dithiolan-2-yl)-
- CAS REGISTRY NUMBER :
- 22068-49-1
- BEILSTEIN REFERENCE NO. :
- 0141157
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H10-O-S2
- MOLECULAR WEIGHT :
- 198.31
- WISWESSER LINE NOTATION :
- T5S CSTJ BR DQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982
|
Safety Information
| Hazard Codes | Xn:Harmful; |
|---|
| Risk Phrases | R20/21/22;R36/37/38 |
|---|
| Safety Phrases | S26-S36/37/39 |
|---|
| HS Code | 2934999090 |
|---|
Preparation
Customs
| HS Code | 2934999090 |
|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| Phenol,p-(1,3-dithiolan-2-yl) |
| 1,3-Dithiolane,2-(4-hydroxyphenyl) |
| 4-[1,3]dithiolan-2-yl-phenol |
| MFCD00068127 |
| 4-hydroxyphenyl-1,3-dithiolane |
| p-(1,3-Dithiolan-2-yl)phenol |
| 2-(4-hydroxyphenyl)-1,3-dithiolane |
