CAS Number5395-79-9
Synonyms(4-Chlorophenyl)(4-methylphenyl)methanone; Methanone,(4-chlorophenyl)(4-methylphenyl); (4-chlorophenyl)(4-tolyl)methanone; 4-Chloro-4'-methylbenzophenone; BENZOPHENONE,4-CHLORO-4'-METHYL; (4-chlorophenyl)(p-tolyl)methanone; 4-methylphenyl methanone; 4-chlorophenyl; 4-(4-chlorobenzoyl)toluene
Molecular FormulaC14H11O1Cl1
Molecular Weight230.69
Density1.2±0.1 g/cm3
Boiling Point364.5±25.0 °C at 760 mmHg
Melting Point128-129 °C
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5395-79-9 |
| Catalog No. | 2A-9062229 |
| Chinese Name | 4-氯-4'-甲基二苯甲酮 |
| Synonyms | (4-Chlorophenyl)(4-methylphenyl)methanone; Methanone,(4-chlorophenyl)(4-methylphenyl); (4-chlorophenyl)(4-tolyl)methanone; 4-Chloro-4'-methylbenzophenone; BENZOPHENONE,4-CHLORO-4'-METHYL; (4-chlorophenyl)(p-tolyl)methanone; 4-methylphenyl methanone; 4-chlorophenyl; 4-(4-chlorobenzoyl)toluene |
| Molecular Formula | C14H11O1Cl1 |
| Molecular Weight | 230.69 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 364.5±25.0 °C at 760 mmHg |
| Melting Point | 128-129 °C |
| Storage Condition | room temperature |
| HTC | 2914700090 |
| MDL Number | MFCD00625699 |
| SMILES | Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1 |
| InChI | InChI=1S/C14H11ClO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2-9H,1H3 |
| InChI Key | MRIBPIAKCVDXLY-UHFFFAOYSA-N |
| MSDS | msds/62229_1_5395_79_9.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 weight:230.7 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen chloride. 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 : Benzophenone, 4-chloro-4'-methyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C14-H11-Cl-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 48,143,1985 Safety Information Hazard Codes Xn HS Code 2914700090 Synthetic Route 4-Bromotoluene 4-Chlorobenzald... 4-Chloro-4'... Literature: Ushijima, Sousuke; Dohi, Souya; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2012 , vol. 68, # 5 p. 1436 - 1442 4-Tolylboronic ... 4-Chlorobenzald... 4-Chloro-4'... Literature: Dey, Bikash Kali; Dutta, Jayita; Drew, Michael G.B.; Bhattacharya, Samaresh Journal of Organometallic Chemistry, 2014 , vol. 750, p. 176 - 184 4-Bromochlorobe... p-Tolualdehyde 4-Chloro-4'... Literature: Dohi, Souya; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2012 , vol. 68, # 32 p. 6557 - 6564 Precursor & DownStream Precursor 10 CAS#:106-38-7 4-Bromotoluene CAS#:104-88-1 4-Chlorobenzaldehyde CAS#:5720-05-8 4-Tolylboronic acid CAS#:106-39-8 4-Bromochlorobenzene DownStream 6 CAS#:742085-16-1 4-CHLORO-4'-PYR... CAS#:13389-74-7 4-CHLORO-4'-MET... CAS#:30203-87-3 BENZENE, 1-CHLO... CAS#:91457-11-3 [4-(bromomethyl... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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