Introduction：Basic information about CAS 86-96-4|Benzoyleneurea, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzoyleneurea |
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| CAS Number | 86-96-4 | Molecular Weight | 162.145 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 491.9ºC at 760 mmHg |
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| Molecular Formula | C8H6N2O2 | Melting Point | 300 °C(lit.) |
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| MSDS | / | Flash Point | / |
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Names
| Name | Benzoyleneurea |
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| Synonym | More Synonyms |
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Benzoyleneurea BiologicalActivity
| Description | Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors[1]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
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| References | [1]. Carrico D, et al. Design, synthesis, and evaluation of potent and selective benzoyleneurea-based inhibitors of protein geranylgeranyltransferase-I. Bioorg Med Chem. 2005 Feb 1;13(3):677-88. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 491.9ºC at 760 mmHg |
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| Melting Point | 300 °C(lit.) |
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| Molecular Formula | C8H6N2O2 |
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| Molecular Weight | 162.145 |
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| Exact Mass | 162.042923 |
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| PSA | 65.72000 |
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| LogP | 0.55 |
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| Index of Refraction | 1.587 |
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| InChIKey | SDQJTWBNWQABLE-UHFFFAOYSA-N |
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| SMILES | O=c1[nH]c(=O)c2ccccc2[nH]1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- VA1390000
- CHEMICAL NAME :
- 2,4(1H,3H)-Quinazolinedione
- CAS REGISTRY NUMBER :
- 86-96-4
- LAST UPDATED :
- 199112
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-H6-N2-O2
- MOLECULAR WEIGHT :
- 162.16
- WISWESSER LINE NOTATION :
- T66 BMVMVJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 3,100,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,1204,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1447 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,1204,1962 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 17400 mg/kg
- SEX/DURATION :
- male 8 day(s) pre-mating female 21 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966
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Safety Information
| Safety Phrases | S24/25-S22 |
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| WGK Germany | 2 |
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| RTECS | VA1390000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1H,3H-quinazoline-2,4-dione |
| 2-keto-4-quinazolinone |
| 1H-quinazoline-2,4-dione |
| quinazolinedione |
| Quinazoline-2,4-dione |
| benzouracil |
| 4-Dihydroxy quinazoline |
| 2,4-dioxo-1,2,3,4-tetrahydroquinazoline |
| quinazolin-2,4(1H,3H)-dione |
| 2,4-quinazolinediol |
| Quinazolin-2,4-dione |
| 2,4(1H,3H)-Quinazolinedione |
| Chinazolin-2,4(1H,3H)-dion |
| ghko |
| 2,4-quinazolinedione |
| 2,4(1H,3H)-Quinaozinedione |
| EINECS 201-712-6 |
| 2,4-DIHYDROXYQUINAZOLINE |
| benzoylene urea |
| quinazoline-2,4-diol |
| MFCD00006699 |
| quinazoline-2,4(1H,3H)-dione |
