Introduction:Basic information about CAS 496-41-3|Benzofuran-2-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzofuran-2-carboxylic acid |
|---|
| CAS Number | 496-41-3 | Molecular Weight | 162.14200 |
|---|
| Density | / | Boiling Point | 310-315°C |
|---|
| Molecular Formula | C9H6O3 | Melting Point | 193-196 °C(lit.) |
|---|
| MSDS | / | Flash Point | 310-315°C |
|---|
Names
| Name | Benzofuran-2-carboxylic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Boiling Point | 310-315°C |
|---|
| Melting Point | 193-196 °C(lit.) |
|---|
| Molecular Formula | C9H6O3 |
|---|
| Molecular Weight | 162.14200 |
|---|
| Flash Point | 310-315°C |
|---|
| Exact Mass | 162.03200 |
|---|
| PSA | 50.44000 |
|---|
| LogP | 2.13100 |
|---|
| Vapour Pressure | 0mmHg at 25°C |
|---|
| Index of Refraction | 1.649 |
|---|
| InChIKey | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
|---|
| SMILES | O=C(O)c1cc2ccccc2o1 |
|---|
| Water Solubility | partially soluble |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DF6490000
- CHEMICAL NAME :
- 2-Benzofurancarboxylic acid
- CAS REGISTRY NUMBER :
- 496-41-3
- BEILSTEIN REFERENCE NO. :
- 0124204
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H6-O3
- MOLECULAR WEIGHT :
- 162.15
- WISWESSER LINE NOTATION :
- T56 BOJ CVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02495
|
Safety Information
| Hazard Codes | Xi:Irritant; |
|---|
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | S26-S37/39 |
|---|
| WGK Germany | 3 |
|---|
| RTECS | DF6490000 |
|---|
| HS Code | 29329985 |
|---|
Customs
Synonyms
| Coumarilic Acid |
| MFCD00005848 |
| EINECS 207-818-9 |
| Benzofuran-2-carboxylic Acid |
| Benzo[b]furan-2-carboxylic acid |
| Coumarone-2-carboxylic Acid |
| 1-benzofuran-2-carboxylic acid |