Introduction：Basic information about 4-tert-Butylbenzoyl chloride CAS 1710-98-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-tert-Butylbenzoyl chloride Basic information
| Product Name: | 4-tert-Butylbenzoyl chloride |
| Synonyms: | Benzoylchloride,4-(1,1-dimethylethyl)-;Benzoylchloride,p-tert-butyl-;butylbenzoylchloride;P-TERT-BUTYLBENZOYL CHLORIDE;P-T-BUTYLBENZOYL CHLORIDE;4-tert-Butylbenzoyl chloride, 98+%;4-TERT-BTUYLBENZOYLCHLORIDE;4-tert-Butylbenzoic acid chloride |
| CAS: | 1710-98-1 |
| MF: | C11H13ClO |
| MW: | 196.67 |
| EINECS: | 216-973-1 |
| Product Categories: | Acid Halides;Carbonyl Compounds;Organic Building Blocks |
| Mol File: | 1710-98-1.mol |
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4-tert-Butylbenzoyl chloride Chemical Properties
| Melting point | 177.5-179 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2)) |
| Boiling point | 135 °C20 mm Hg(lit.) |
| density | 1.007 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.536(lit.) |
| Fp | 190 °F |
| storage temp. | Store below +30°C. |
| form | Liquid |
| color | Clear colorless to very slightly yellow |
| Water Solubility | Reacts with water. |
| Sensitive | Moisture Sensitive |
| BRN | 775793 |
| InChI | 1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3 |
| InChIKey | WNLMYNASWOULQY-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(cc1)C(Cl)=O |
| CAS DataBase Reference | 1710-98-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoyl chloride, 4-(1,1-dimethylethyl)-(1710-98-1) |
| EPA Substance Registry System | Benzoyl chloride, 4-(1,1-dimethylethyl)- (1710-98-1) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 34-37 |
| Safety Statements | 26-36/37/39-45-24/25 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| F | 9-21 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29163900 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Eye Dam. 1
Skin Corr. 1B |
4-tert-Butylbenzoyl chloride Usage And Synthesis
| Chemical Properties | CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID |
| Uses | 4-tert-Butylbenzoyl chloride is used as a reactant in the preparation of multi-branched structures based on triphenylamine for enhanced two-photon absorption. |
| General Description | AlCl3 promoted Friedel-Crafts acylation of 4-tert-butylbenzoyl chloride with mesitylene was investigated. |
| Purification Methods | Distil it in a vacuum. If IR shows OH group, then treat it with thionyl chloride or oxalyl chloride at ca 50o for 30minutes, evaporate and fractionate it in a vacuum using a short column. Strongly LACHRYMATORY; use a good fume hood. [Fuson & Turnbull J Am Chem Soc 71 2544 1949, Tsuno et al. Bull Chem Soc Jpn 32 960 1959, Swain et al. J Am Chem Soc 72 5433 1950, Beilstein 9 III 2526.] |
4-tert-Butylbenzoyl chloride Preparation Products And Raw materials
| Raw materials | Diethyl ether-->N,N-Dimethylformamide-->Thionyl chloride-->4-tert-Butylbenzoic acid |
| Preparation Products | (4-benzylpiperazin-1-yl)(4-(tert-butyl)phenyl)methanone-->N-(4-AMINOPHENYL)-4-TERT-BUTYLBENZAMIDE-->4-tert-butyl-N-[2-(1H-indol-3-yl)ethyl]benzamide-->2-[(4-TERT-BUTYLBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID-->(4-TERT-BUTYL-BENZOYLAMINO)-ACETIC ACID-->4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE |
