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tert-Butyl chloroacetate

Product Name
tert-Butyl chloroacetate
CAS No.
107-59-5
Chemical Name
tert-Butyl chloroacetate
Synonyms
153N-6;NSC 87891;ClCH2C(O)OC(CH3)3;(10E)-3-O-De(αtert-Butyl chloroace;T-BUTYL CHLOROACETATE;TERT-BUTYL CHLORACETATE;3-Formyl Tyrosol αreft-Butyl chloroacetate;TERT-BUTYL CHLOROACETATE
CBNumber
CB7749461
Molecular Formula
C6H11ClO2
Formula Weight
150.6
MOL File
107-59-5.mol
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tert-Butyl chloroacetate Property

Boiling point:
48-49 °C/11 mmHg (lit.)
Density 
1.053 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.423(lit.)
Flash point:
116 °F
storage temp. 
Flammables area
form 
Liquid
Specific Gravity
1.053
color 
Clear colorless to yellow
Water Solubility 
<0.1 g/L (20 ºC)
Merck 
14,1563
BRN 
1753006
LogP
2.07
CAS DataBase Reference
107-59-5(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, chloro-, 1,1-dimethylethyl ester(107-59-5)
EPA Substance Registry System
Acetic acid, chloro-, 1,1-dimethylethyl ester (107-59-5)
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Safety

Hazard Codes 
C,N,Xn,Xi,F
Risk Statements 
20/21/22-34-50/53-36/37/38-10
Safety Statements 
26-36/37/39-45-61-60-16-7/9
RIDADR 
UN 2920 8/PG 2
WGK Germany 
3
RTECS 
AF8985500
19-21
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29154000
Toxicity
rat,LC50,inhalation,4738mg/m3/4H (4738mg/m3),SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONLUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: TREMOR,International Journal of Toxicology. Vol. 19, Pg. 333, 2000.
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H226Flammable liquid and vapour

H302Harmful if swallowed

H312Harmful in contact with skin

H314Causes severe skin burns and eye damage

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H335May cause respiratory irritation

H400Very toxic to aquatic life

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P309IF exposed or if you feel unwell:

P310Immediately call a POISON CENTER or doctor/physician.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
186791
Product name
tert-Butyl chloroacetate
Purity
97%
Packaging
25g
Price
$46.8
Updated
2024/03/01
Sigma-Aldrich
Product number
186791
Product name
tert-Butyl chloroacetate
Purity
97%
Packaging
100g
Price
$83.2
Updated
2024/03/01
TCI Chemical
Product number
C1267
Product name
tert-Butyl Chloroacetate
Purity
>97.0%(GC)
Packaging
25mL
Price
$33
Updated
2024/03/01
TCI Chemical
Product number
C1267
Product name
tert-Butyl Chloroacetate
Purity
>97.0%(GC)
Packaging
500mL
Price
$94
Updated
2024/03/01
Alfa Aesar
Product number
A15833
Product name
tert-Butyl chloroacetate, 98%
Packaging
25g
Price
$26.65
Updated
2024/03/01
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tert-Butyl chloroacetate Chemical Properties,Usage,Production

Chemical Properties

clear colorless to yellow liquid. Hydrolysis generates tert-butanol and chloroacetic acid.

Uses

tert-Butyl chloroacetate is used in the synthesis of imidazol-1-yl-acetic acid hydrochloride, cis-disubstituted aziridine ester via aza-Darzens reaction and 1,10-diaza-18-crown-6 based sensors bearing a coumarin fluorophore.

Uses

In the glycidic ester condensation.

Preparation

tert-Butyl chloroacetate synthesis: The tert-butanol was added to the mixture of chloroacetyl chloride and N,N-dimethylaniline, and the temperature was kept below 30°C. The reactant was poured into water, washed and dried, and then fractionated under reduced pressure. The fractions at 48-49°C (1.46kPa) were collected to obtain tert-butyl chloroacetate with a yield of 63%.

Safety Profile

A poison by ingestion. Moderately toxic by inhalation skin contact. S severe sluin and moderate eye irritant. When heated to decomposition it emits toxic vapors of Cl-.

Purification Methods

Check the NMR spectrum; if satisfactory then distil in a vacuum; if not then dissolve in Et2O, wash with H2O, 10% H2SO4 until the acid extract does not become cloudy when made alkaline with NaOH. Wash the organic layer again with H2O, then saturated aqueous NaHCO3, dry over Na2SO4, evaporate and fractionate it through a carborundum-packed column or a 6-inch Widmer column (p 11, see tert-butyl ethyl malonate for precautions to avoid decomposition during disillation). [Johnson et al. J Am Chem Soc 75 4995 1953, Baker Org Synth Coll Vol III 144 1944, Beilstein 2 III 444.]

tert-Butyl chloroacetate Preparation Products And Raw materials

Raw materials

Preparation Products

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tert-Butyl chloroacetate Suppliers

TCI Chemicals (India) Pvt. Ltd.
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View Lastest Price from tert-Butyl chloroacetate manufacturers

Hebei Yanxi Chemical Co., Ltd.
Product
tert-Butyl chloroacetate 107-59-5
Price
US $0.00/kg
Min. Order
1kg
Purity
0.985
Supply Ability
20tons
Release date
2023-10-13
Hebei Chuanghai Biotechnology Co,.LTD
Product
Tert-Butyl Chloroacetate 107-59-5
Price
US $19.00/KG
Min. Order
1KG
Purity
99.%
Supply Ability
10 ton
Release date
2024-08-22
Hebei Mojin Biotechnology Co., Ltd
Product
tert-Butyl chloroacetate 107-59-5
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-08-18

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