CAS 1750-45-4|5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one
| Common Name | 5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one | ||
|---|---|---|---|
| CAS Number | 1750-45-4 | Molecular Weight | 185.565 |
| Density | 1.6±0.1 g/cm3 | Boiling Point | / |
| Molecular Formula | C7H4ClNO3 | Melting Point | 240-242ºC |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 6-Hydroxy Chlorzoxazone |
|---|---|
| Synonym | More Synonyms |
BiologicalActivity
| Description | 6-Hydroxy Chlorzoxazone is a metabolite of Chlorzoxazone (HY-B1462). Chlorzoxazone is a centrally acting muscle relaxant used to treat muscle spasm and the resulting pain or discomfort[1]. |
|---|---|
| Related Catalog | Research Areas >>Inflammation/Immunology |
| References | [1]. Elbarbry F, et al. Studying the Inhibitory Effect of Quercetin and Thymoquinone on Human Cytochrome P450 Enzyme Activities. Pharmacogn Mag. 2018 Jan;13(Suppl 4):S895-S899. |
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Melting Point | 240-242ºC |
| Molecular Formula | C7H4ClNO3 |
| Molecular Weight | 185.565 |
| Exact Mass | 184.987976 |
| PSA | 66.23000 |
| LogP | 1.59 |
| Index of Refraction | 1.651 |
| InChIKey | AGLXDWOTVQZHIQ-UHFFFAOYSA-N |
| SMILES | O=c1[nH]c2cc(Cl)c(O)cc2o1 |
| Storage condition | 2-8°C |
| Water Solubility | methanol: soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 550 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | DM5260000 |
| HS Code | 2934999090 |
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% |
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Synonyms
| 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one |
| 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy- |
| 5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one |
