ChemicalBook--->CAS DataBase List--->1710-98-1

1710-98-1

1710-98-1 Structure

1710-98-1 Structure
IdentificationMore
[Name]

4-tert-Butylbenzoyl chloride
[CAS]

1710-98-1
[Synonyms]

4-(1,1-Dimethylethyl)-Benzoyl chloride
4-TERT-BUTYLBENZOYL CHLORIDE
P-T-BUTYLBENZOYL CHLORIDE
P-TERT-BUTYLBENZOYL CHLORIDE
4-(1,1-dimethylethyl)-benzoylchlorid
Benzoylchloride,4-(1,1-dimethylethyl)-
Benzoylchloride,p-tert-butyl-
butylbenzoylchloride
4-tert-Butylbenzoyl chloride, 98+%
4-TERT-BTUYLBENZOYLCHLORIDE
4-tert-Butylbenzoic acid chloride
[EINECS(EC#)]

216-973-1
[Molecular Formula]

C11H13ClO
[MDL Number]

MFCD00000695
[Molecular Weight]

196.67
[MOL File]

1710-98-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
[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]

1710-98-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R37:Irritating to the respiratory system.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[F ]

9-21
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29163900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-tert-Butylbenzoyl chloride(1710-98-1).msds
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-tert-Butylbenzoyl chloride(1710-98-1)MS
4-tert-Butylbenzoyl chloride(1710-98-1)1HNMR
4-tert-Butylbenzoyl chloride(1710-98-1)13CNMR
4-tert-Butylbenzoyl chloride(1710-98-1)IR1
4-tert-Butylbenzoyl chloride(1710-98-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-tert-Butylbenzoyl chloride, 98%(1710-98-1)
[Alfa Aesar]

4-tert-Butylbenzoyl chloride, 98%(1710-98-1)
[Sigma Aldrich]

1710-98-1(sigmaaldrich)
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