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tert-Butyl bromoacetate

tert-Butyl bromoacetate structure

CAS No:
5292-43-3
Formula:
C6H11BrO2
Chemical Name:
tert-Butyl bromoacetate
Synonyms:
Acetic acid,2-bromo-,1,1-dimethylethyl ester;Acetic acid,bromo-,tert-butyl ester;Acetic acid,bromo-,1,1-dimethylethyl ester;tert-Butyl bromoacetate;tert-Butyl α-bromoacetate;1,1-Dimethylethyl bromoacetate;1,1-Dimethylethyl monobromoacetate;Bromoacetic acid tert-butyl ester;tert-Butyl 2-bromoacetate;1,1-Dimethylethyl 2-bromoacetate;NSC 82470;Bromoacetic acid 1,1-dimethylethyl ester;2-Bromoacetic acid tert-butyl ester;t-Butyl bromoacetate
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to yellow liquid

tert-Butyl bromoacetate Basic Attributes

Molecular Weight：

195.056

Exact Mass：

195.05

EC Number：

226-133-6

UNII：

LY42AF89SN

NSC Number：

82470

DSSTox ID：

DTXSID2063763

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

2.07

Appearance：

slightly yellow transparent liquid

Density：

1.4±0.1 g/cm3

Melting Point：

44-47 °C

Boiling Point：

50 °C @ Press: 10 Torr

Flash Point：

49.4±0.0 °C

Refractive Index：

1.457

Water Solubility：

Miscible with ethanol, chloroform and ethyl acetate. Immiscible with water.

Storage Conditions：

0-6ºC

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

R10;R36/37/38

safety instructions：

S26-S24/25-S16

Marks：

Xi:Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 88 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

tert-Butyl bromoacetate Use and Manufacturing

Uses

tert-Butyl Bromoacetate is a halogenated t-butyl acetate commonly used as an alkylating agent. tert-Butyl Bromoacetate is used in the synthesis of collagenase inhibitors.

Manufacturing Info：

Acetic acid, 2-bromo-, 1,1-dimethylethyl ester: ACTIVE

Computed Properties

Molecular Weight:195.05
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:193.99424
Monoisotopic Mass:193.99424
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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