Introduction：Basic information about CAS 59-49-4|2-Benzoxazolinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Benzoxazolinone |
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| CAS Number | 59-49-4 | Molecular Weight | 135.120 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 299ºC at 760 mmHg |
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| Molecular Formula | C7H5NO2 | Melting Point | 137-139 °C(lit.) |
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| MSDS | / | Flash Point | 160 °C |
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Names
| Name | 2-Benzoxazolinone |
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| Synonym | More Synonyms |
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2-Benzoxazolinone BiologicalActivity
| Description | 2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani[1]. A building block in chemical synthesis. 1,3-Benzoxazol-2(3H)-one derivatives have antimicrobial activity against a selection of Gram-positive, Gram-negative bacteria and yeasts[3]. Derivatives as anti-quorum sensing agent[4]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>ParasiteNatural Products >>AlkaloidResearch Areas >>Infection |
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| Target | LC50: 40 μg/mL (L. donovani)[1] |
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| In Vitro | 2-Benzoxazolinone (0.1-5 mM) induces oxidative stress in mung bean through generation of ROS and upregulation of activities of various scavenging enzymes[2]. |
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| References | [1]. Kapil A, et al. Leishmanicidal activity of 2-benzoxazolinone from Acanthus illicifolius in vitro. Planta Med. 1994 Apr;60(2):187-8. [2]. Batish DR, et al. 2-Benzoxazolinone (BOA) induced oxidative stress, lipid peroxidation and changes in some antioxidant enzyme activities in mung bean (Phaseolus aureus). Plant Physiology and Biochemistry 44(11-12):819-27 [3]. Krawiecka M, et al. Synthesis and biological activity of novel series of 1,3-benzoxazol-2(3H)-one derivatives. Acta Pol Pharm. 2013 Mar-Apr;70(2):245-53. [4]. Miandji AM, et al. Synthesis and biological activities of some 1,3-benzoxazol-2(3H)-one derivatives as anti-quorum sensing agents. Arzneimittelforschung. 2012 Jul;62(7):330-4. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 299ºC at 760 mmHg |
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| Melting Point | 137-139 °C(lit.) |
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| Molecular Formula | C7H5NO2 |
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| Molecular Weight | 135.120 |
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| Flash Point | 160 °C |
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| Exact Mass | 135.032028 |
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| PSA | 46.00000 |
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| LogP | 1.16 |
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| Index of Refraction | 1.586 |
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| InChIKey | ASSKVPFEZFQQNQ-UHFFFAOYSA-N |
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| SMILES | O=c1[nH]c2ccccc2o1 |
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| Water Solubility | soluble in hot water |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DM4905000
- CHEMICAL NAME :
- 2-Benzoxazolinone
- CAS REGISTRY NUMBER :
- 59-49-4
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C7-H5-N-O2
- MOLECULAR WEIGHT :
- 135.13
- WISWESSER LINE NOTATION :
- T56 BMVOJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 700 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),341,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 554 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(8),36,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 3892 mg/m3
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(8),36,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993
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Safety Information
| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R22 |
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| Safety Phrases | S36-S24/25 |
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| WGK Germany | 3 |
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| RTECS | DM4905000 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| 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
| 1,3-Benzoxazol-2(3H)-one |
| Benzoxazolinone |
| MFCD00005716 |
| 2-Benzoxaxolol |
| Benzoxazole-2-ol |
| 2-Benzoxazolol |
| BENZOXAZOLONE |
| 3H-benzoxazol-2-one |
| 2(3H)-Benzoxazolone |
| 2-BENZOXAZOLONE |
| USAF ek-5429 |
| 2,3-dihydrobenzoxazol-2-one |
| benzoxazol-2-one |
| 2-oxo-2,3-dihydrobenzoxazole |
| EINECS 200-430-0 |
| 2-Benzoxazolinone |
| 3H-benzooxazol-2-one |
