ChemicalBook--->CAS DataBase List--->70-23-5

70-23-5

70-23-5 Structure

70-23-5 Structure
IdentificationMore
[Name]

Ethyl bromopyruvate
[CAS]

70-23-5
[Synonyms]

BROMOPYRUVIC ACID ETHYL ESTER
ETHYL 3-BROMO-2-OXOPROPANOATE
ETHYL 3-BROMOPYRUVATE
ETHYL BROMOPYRUVATE
3-bromo-2-oxo-propanoicaciethylester
beta-Bromopyruvic acid ethyl ester
Pyruvic acid, bromo-, ethyl ester
Ethylbromopyruvate (Tech)
Propanoic acid, 3-bromo-2-oxo-, ethyl ester
ETHYL3-BROMO-2-OXOPROPANOATE(ETHYLBROMOPYRUVATE)
Ethyl 3-bromopyruvate, tech. 90%
Ethyl 3-bromo-2-oxopropanoat
2-Oxo-3-bromopropanoic acid ethyl ester
3-Bromo-2-oxopropanoic acid ethyl ester
3-Bromo-2-oxopropionic acid ethyl ester
Bromopyruvic acid ethyl
[EINECS(EC#)]

200-729-6
[Molecular Formula]

C5H7BrO3
[MDL Number]

MFCD00000204
[Molecular Weight]

195.01
[MOL File]

70-23-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellow to pink-red liquid
[Boiling point ]

98-100 °C10 mm Hg(lit.)
[density ]

1.554 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.469(lit.)
[Fp ]

210 °F
[storage temp. ]

2-8°C
[solubility ]

Difficult to mix.
[form ]

Liquid
[color ]

Clear yellow to pink-red
[Sensitive ]

Moisture Sensitive
[Detection Methods]

GC
[BRN ]

1760158
[InChI]

1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
[InChIKey]

VICYTAYPKBLQFB-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C(=O)CBr
[LogP]

0.861 (est)
[CAS DataBase Reference]

70-23-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanoic acid, 3-bromo-2-oxo-, ethyl ester(70-23-5)
[EPA Substance Registry System]

70-23-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R33:Danger of cumulative effects.
R23/24:Toxic by inhalation and in contact with skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3265
[WGK Germany ]

3
[F ]

8-9-21
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl lactate-->Ethyl pyruvate-->Carbon dioxide-->Water
[Preparation Products]

2-(3-Pyridyl)-1,3-thiazole-4-carboxylic acid-->4-Hydroxyindole-->4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine-->tert-Butyl 4-(4-formyl-1,3-thiazol-2-yl)tetrahydro-1(2H)-pyridinecarboxylate-->4-Thiazolemethanamine, 2-amino-N,N-dimethyl--->2-Phenyl-1,3-thiazole-4-carbaldehyde-->2-Phenyl-1,3-thiazole-4-carbonyl chloride-->Imidazo[1,2-a]pyridine-2-carboxylic acid-->4-(chloromethyl)-2-thiazolamine--> Ethyl 2-methylthiazole-4-carboxylate-->2-Methyl-1,3-thiazole-4-carboxylic acid-->2-Phenyl-1,3-thiazole-4-carbohydrazide-->(2-Phenyl-1,3-thiazol-4-yl)methanol-->Ethyl 2-bromothiazole-4-carboxylate-->2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde-->RARECHEM AL BI 1318-->4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid-->Ethyl 2-chlorooxazole-4-carboxylate-->1,5,6,7-Tetrahydro-4H-indol-4-one-->4-Thiazolecarboxylic acid, 2-hydrazino-, ethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl bromopyruvate(70-23-5).msds
Hazard InformationBack Directory
[Hazard]

Severe poison, lachrymator, irritant.
[Chemical Properties]

Clear yellow to pink-red liquid
[Uses]

Employed in a synthesis of thioxothiazolidines from primary amines and carbon disulfide.1
[Purification Methods]

The most likely impurity is free acid (bromopyruvic or bromoacetic acids). Dissolve the ester in dry Et2O or dry CHCl3, stir with CaCO3 until effervescence ceases, filter, (may wash with a little H2O rapidly), dry (MgSO4) and distil it at least twice. The 2,4-dinitrophenylhydrazone has m 144-145o. [Burros & Holland J Chem Soc 672 1947, Letsinger & Laco J Org Chem 21 764 1956, Kruse et al. J Am Chem Soc 76 5796 1954, Beilstein 3 IV 1519.] LACHRYMATORY.
[References]

[1] Justus Liebigs Annalen der Chemie, 1949, vol. 564, p. 35
[2] Journal of the Chemical Society, 1947, p. 670
[3] Journal of the American Chemical Society, 1944, vol. 66, p. 1658
[4] Journal of the Chemical Society, 1947, p. 1372,1374
[5] Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 495,500
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl bromopyruvate(70-23-5)MS
Ethyl bromopyruvate(70-23-5)1HNMR
Ethyl bromopyruvate(70-23-5)IR1
Ethyl bromopyruvate(70-23-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl bromopyruvate, 80-85%(70-23-5)
[Alfa Aesar]

Ethyl 3-bromopyruvate, tech. 90%(70-23-5)
[Sigma Aldrich]

70-23-5(sigmaaldrich)
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