4-tert-Butylbenzoyl chloride

CAS No.：1710-98-1

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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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

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
InChIKey	WNLMYNASWOULQY-UHFFFAOYSA-N
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	Yes
HazardClass	8
PackingGroup	II
HS Code	29163900

MSDS Information

Provider	Language
4-tert-Butylbenzoyl chloride	English
SigmaAldrich	English
ACROS	English
ALFA	English

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

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