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107-59-5
???:
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???(??):
3?-?????????;????????????????;3?-?????????;tert-??-????????
???:
tert-Butyl chloroacetate
???(??):
153N-6;NSC 87891;ClCH2C(O)OC(CH3)3;tert-ButylChlorate;(10E)-3-O-De(αtert-Butyl chloroace;T-BUTYL CHLOROACETATE;TERT-BUTYL CHLORACETATE;3-Formyl Tyrosol αreft-Butyl chloroacetate
CBNumber:
CB7749461
???:
C6H11ClO2
??? ??:
150.6
MOL ??:
107-59-5.mol
MSDS ??:
SDS

???????????????? ??

?? ?
48-49 °C/11 mmHg (lit.)
??
1.053 g/mL at 25 °C (lit.)
???
n20/D 1.423(lit.)
???
116 °F
?? ??
Flammables area
??? ??
??
??
??~???? ???
Specific Gravity
1.053
???
<0.1g/L(20℃)
Merck
14,1563
BRN
1753006
LogP
2.07
CAS ??????
107-59-5(CAS DataBase Reference)
NIST
Acetic acid, chloro-, 1,1-dimethylethyl ester(107-59-5)
EPA
Acetic acid, chloro-, 1,1-dimethylethyl ester (107-59-5)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? C,N,Xn,Xi,F
?? ???? ?? 20/21/22-34-50/53-36/37/38-10
????? 26-36/37/39-45-61-60-16-7/9
????(UN No.) UN 2920 8/PG 2
WGK ?? 3
RTECS ?? AF8985500
F ?????? 19-21
TSCA Yes
?? ?? 3
???? III
HS ?? 29154000
?? 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.
????(GHS): GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H226 ??? ?? ? ?? ??? ?? ?? 3 ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? GHS hazard pictograms P264, P270, P301+P312, P330, P501
H312 ??? ???? ??? ?? ?? ?? - ?? ?? 4 ?? GHS hazard pictograms P280,P302+P352, P312, P322, P363,P501
H314 ??? ?? ??? ?? ??? ??? ????? ?? ????? ?? 1A, B, C ?? GHS hazard pictograms P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H331 ???? ??? ?? ?? ?? ?? ?? 3 ?? GHS hazard pictograms P261, P271, P304+P340, P311, P321,P403+P233, P405, P501
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
H400 ????? ?? ??? ?? ????? ?? - ?? ?? 1 ?? GHS hazard pictograms P273, P391, P501
H410 ??? ??? ?? ????? ?? ??? ?? ????? ?? - ?? ?? 1 ?? GHS hazard pictograms P273, P391, P501
??????:
P210 ?·???·??·????? ????? - ?? ???.
P233 ??? ??? ?????. ??? ??? ? ?? ?? ??? ???? ?????.
P240 ??? ????? ?? ? ??????.
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P271 ?? ?? ??? ? ?? ???? ?????.
P273 ???? ???? ???.
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P309 ?????? ?? ?? ?? ??
P310 ?? ????(??)? ??? ????. ???? ?? ????(??)? ??? ????.
P370+P378 ?? ? ?? ?? ?? (Section 5. ??, ??? ????? ??? ???)?(?) ?????.
P403+P235 ??? ? ?? ?? ???? ???? ?????.
P501 ...? ??? / ??? ?? ???.
NFPA 704
2
3 0

???????????????? MSDS


tert-Butyl chloroacetate

???????????????? C??? ??, ??, ??

??

tert- ?? ??? ?????? ??? ?? ?? ??? ????. ?? ????? API ???, C6-C7, ?? ?? ??? ? ???????.

??

??? ? ????? ??? ?????. ?? ???, ?? ? ??? ???? ??? ? ????.

??

? ??? ????? ??, ?? ?? ? ??? ?????. ??? ?? ? ????. ?? ?, ??? ? ???? ??????. ?? ?? ???? ?? ???? ?? ??? ???? ???? ?? ? ????.

??? ??

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

??

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.

?? ??

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.]

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