CAS Number21440-97-1
Synonyms6-Bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; Brofoxinum [INN-Latin]; EINECS 244-389-7; 6-Bromo-1,4-dihydro-4,4-dimethyl-1,3-benzo[d]oxazin-2-one; Brofossina [DCIT]; Brofoxina; 6-bromo-4,4-dimethyl-1,4-dihydro-2H-[d][3,1]-benzoxazin-2-one; 6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one; Dimethabrone; MFCD00866701; Brofoxina [INN-Spanish]; F.I. 6820; 6-bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one; brofoxine
Molecular FormulaC10H10O2N1Br1
Molecular Weight256.1
Purity98.00%
Density1.5±0.1 g/cm3
Boiling Point269.8±40.0 °C at 760 mmHg
Melting Point203-205ºC
AppearanceWhite or almost white crystalline powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 21440-97-1 |
| Catalog No. | 2A-9038684 |
| Chinese Name | 6-溴-4,4-二甲基-1,4-二氢苯并噁唑-2-酮 |
| Synonyms | 6-Bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; Brofoxinum [INN-Latin]; EINECS 244-389-7; 6-Bromo-1,4-dihydro-4,4-dimethyl-1,3-benzo[d]oxazin-2-one; Brofossina [DCIT]; Brofoxina; 6-bromo-4,4-dimethyl-1,4-dihydro-2H-[d][3,1]-benzoxazin-2-one; 6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one; Dimethabrone; MFCD00866701; Brofoxina [INN-Spanish]; F.I. 6820; 6-bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one; brofoxine |
| Molecular Formula | C10H10O2N1Br1 |
| Molecular Weight | 256.1 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 269.8±40.0 °C at 760 mmHg |
| Melting Point | 203-205ºC |
| Appearance | White or almost white crystalline powder |
| Storage Condition | 2-8°C |
| HTC | 2934999090 |
| MDL Number | MFCD00866701 |
| SMILES | CC1(C)OC(=O)Nc2ccc(Br)cc21 |
| InChI | InChI=1S/C10H10BrNO2/c1-10(2)7-5-6(11)3-4-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13) |
| InChI Key | JRXGULDSFFLUAO-UHFFFAOYSA-N |
| MSDS | msds/38684_1_21440_97_1.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C10H10BrNO2 Molecular weight:256.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-bromo-4,4-dimethyl- CAS REGISTRY NUMBER : 21440-97-1 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H10-Br-N-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T66 BMVO EHJ EE HE HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 25,787,1969 Safety Information Hazard Codes Xi: Irritant; HS Code 2934999090 Synthetic Route Total: 1 Page N,N-Carbonyldii... CAS#:530-62-1 2-(2-AMINO-5-BR... CAS#:304853-89-2 6-Bromo-4,4-dim... CAS#:21440-97-1 Methyl 2-amino-... CAS#:52727-57-8 6-Bromo-4,4-dim... CAS#:21440-97-1 Literature: Journal of Medicinal Chemistry, , vol. 48, # 16 p. 5092 - 5095 Precursor & DownStream Precursor 3 CAS#:530-62-1 N,N-Carbonyldii... CAS#:304853-89-2 2-(2-AMINO-5-BR... CAS#:52727-57-8 Methyl 2-amino-... DownStream 10 CAS#:304854-45-3 6-(3-CHLORO-4-F... CAS#:304854-37-3 6-(2-CHLOROPHEN... CAS#:304854-07-7 5-(4,4-DIMETHYL... CAS#:304853-30-3 3-(4,4-DIMETHYL... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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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