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Ethyl bromopyruvate

Ethyl bromopyruvate structure

CAS No:
70-23-5
Formula:
C5H7BrO3
Chemical Name:
Ethyl bromopyruvate
Synonyms:
Propanoic acid,3-bromo-2-oxo-,ethyl ester;Pyruvic acid,bromo-,ethyl ester;Ethyl bromopyruvate;β-Bromopyruvic acid ethyl ester;Ethyl 3-bromopyruvate;Bromopyruvic acid ethyl ester;Ethyl α-bromopyruvate;3-Bromopyruvic acid ethyl ester;Ethyl 3-bromo-2-oxopropanoate;Ethyl 3-bromo-2-oxopropionate;3-Bromo-2-oxopropanoic acid ethyl ester;NSC 62182;3-Bromo-2-(oxo)propionic acid ethyl ester
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear yellow to pink-red liquid

Ethyl bromopyruvate Basic Attributes

Molecular Weight：

195.01

Exact Mass：

195.01

BRN：

1760158

EC Number：

200-729-6

NSC Number：

62182

DSSTox ID：

DTXSID4058780

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

1.2

Appearance：

Clear yellow to pink-red Liquid

Density：

1.561 g/cm³ @ Temp: 20 °C

Melting Point：

79 - 82ºC

Boiling Point：

116-121 °C @ Press: 27 Torr

Flash Point：

210 °F

Refractive Index：

1.469

Water Solubility：

Difficult to mix.

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

Transport codes：

3265

wgk germany：

hazard class code：

36/37/38-33-23/24

safety instructions：

26-36-24/25

Marks：

Xi,T

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H314 (14.58%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl bromopyruvate Use and Manufacturing

Methods of Manufacturing

Obtained from the oxidation and bromination of ethyl lactate.

Uses

Employed in a synthesis of thioxothiazolidines from primary amines and carbon disulfide.1

Manufacturing Info：

Propanoic acid, 3-bromo-2-oxo-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:195.01
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:193.95786
Monoisotopic Mass:193.95786
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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