Introduction：Basic information about CAS 57543-66-5|2H-1-Benzopyran-3-carbonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2H-1-Benzopyran-3-carbonitrile |
|---|
| CAS Number | 57543-66-5 | Molecular Weight | 157.16900 |
|---|
| Density | 1.2g/cm3 | Boiling Point | 305.8ºC at 760 mmHg |
|---|
| Molecular Formula | C10H7NO | Melting Point | / |
|---|
| MSDS | / | Flash Point | 128.9ºC |
|---|
Names
| Name | 2h-chromene-3-carbonitrile |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.2g/cm3 |
|---|
| Boiling Point | 305.8ºC at 760 mmHg |
|---|
| Molecular Formula | C10H7NO |
|---|
| Molecular Weight | 157.16900 |
|---|
| Flash Point | 128.9ºC |
|---|
| Exact Mass | 157.05300 |
|---|
| PSA | 33.02000 |
|---|
| LogP | 1.98598 |
|---|
| Index of Refraction | 1.602 |
|---|
| InChIKey | NQOLOKKZYCSJRL-UHFFFAOYSA-N |
|---|
| SMILES | N#CC1=Cc2ccccc2OC1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DJ2170000
- CHEMICAL NAME :
- 2H-1-Benzopyran-3-carbonitrile
- CAS REGISTRY NUMBER :
- 57543-66-5
- BEILSTEIN REFERENCE NO. :
- 0125853
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H7-N-O
- MOLECULAR WEIGHT :
- 157.18
- WISWESSER LINE NOTATION :
- T66 BO CHJ DCN
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: 11,81,1976
|
Safety Information
Synonyms
| 2H-Chromen-3-carbonitril |
| 2H-1-BENZOPYRAN-3-CARBONITRILE |
| 3-cyanochromene |
| 3-cyano-2H-chromene |
