ChemicalBook--->CAS DataBase List--->4755-81-1

4755-81-1

4755-81-1 Structure

4755-81-1 Structure
IdentificationMore
[Name]

Methyl 2-chloroacetoacetate
[CAS]

4755-81-1
[Synonyms]

2-chloro-3-oxobutanoic acid, methyl ester
2-CHLOROACETOACETIC ACID METHYL ESTER
METHYL 2-CHLORO-3-OXOBUTANATE
METHYL 2-CHLOROACETOACETATE
2-chloro-3-oxo-butanoicacimethylester
Methyl 2-chloro-3-oxobutanoate
Chloroacetoaceticacidmethylester
Butanoic acid, 2-chloro-3-oxo-, methyl ester
2-chloro-3-oxo-butyric acid methyl ester
2-Acetyl-2-chloroacetic acid methyl ester
[EINECS(EC#)]

225-286-6
[Molecular Formula]

C5H7ClO3
[MDL Number]

MFCD00008757
[Molecular Weight]

150.56
[MOL File]

4755-81-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Melting point ]

-33--32.7 °C (lit.)
[Boiling point ]

137 °C (lit.)
[density ]

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

n20/D 1.446(lit.)
[Fp ]

161 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Liquid
[pka]

7.89±0.46(Predicted)
[color ]

Clear yellow
[Water Solubility ]

50 g/L (20 ºC)
[InChI]

1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3
[InChIKey]

GYQRIAVRKLRQKP-UHFFFAOYSA-N
[SMILES]

COC(=O)C(Cl)C(C)=O
[CAS DataBase Reference]

4755-81-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 2-chloro-3-oxo-, methyl ester(4755-81-1)
[EPA Substance Registry System]

4755-81-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl 2-chloroacetoacetate-->Ethyl acetoacetate
[Preparation Products]

MEVINPHOS
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 2-chloroacetoacetate(4755-81-1).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Uses]

Methyl 2-chloroacetoacetate was used in one-pot synthesis of 2-arylimidazole-4-carboxylic acids. It was also used in synthesis of 3,5-disubstituted 1,2,4-triazoles.
[Synthesis Reference(s)]

Synthesis, p. 188, 1987 DOI: 10.1055/s-1987-27886
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-chloroacetoacetate(4755-81-1)MS
Methyl 2-chloroacetoacetate(4755-81-1)1HNMR
Methyl 2-chloroacetoacetate(4755-81-1)13CNMR
Methyl 2-chloroacetoacetate(4755-81-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 2-chloroacetoacetate, 95%(4755-81-1)
[Sigma Aldrich]

4755-81-1(sigmaaldrich)
[TCI AMERICA]

Methyl 2-Chloroacetoacetate,>95.0%(GC)(4755-81-1)
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