ChemicalBook--->CAS DataBase List--->6191-99-7

6191-99-7

6191-99-7 Structure

6191-99-7 Structure
IdentificationBack Directory
[Name]

3-Ethoxyacryloyl chloride
[CAS]

6191-99-7
[Synonyms]

88.0%
3-EthoxyacryL
Ethoxyacryloylchloride
b-Ethoxyacrylic chloride
3-ETHOXYACRYLOYL CHLORIDE
3-Ethoxyacrylic acid chloride
3-ethoxyprop-2-enoyl chloride
3-Ethoxyacryloyl Chloride >
(2E)-3-Ethoxyacryloyl chloride
3-Ethoxypropenoic acid chloride
2-Propenoyl chloride, 3-ethoxy-
3-Ethoxyacryloyl chloride ISO 9001:2015 REACH
[EINECS(EC#)]

228-239-8
[Molecular Formula]

C5H7ClO2
[MDL Number]

MFCD09029675
[MOL File]

6191-99-7.mol
[Molecular Weight]

134.56
Chemical PropertiesBack Directory
[Boiling point ]

75°C/10mmHg(lit.)
[density ]

1.125±0.06 g/cm3(Predicted)
[refractive index ]

1.4860 to 1.4910
[Fp ]

25 °C
[storage temp. ]

2-8°C
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[InChI]

InChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3
[InChIKey]

SFMFACMIOWQIPR-UHFFFAOYSA-N
[SMILES]

C(Cl)(=O)C=COCC
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H226-H302-H314-H317-H334
[Precautionary statements ]

P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

10-22-34-42/43
[Safety Statements ]

23-24-26-36/37/39-45
[RIDADR ]

UN2920 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8/3
[PackingGroup ]

II
[HS Code ]

2909500090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 3
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

light yellow liquid
[Uses]

Used as an intermediate in organic synthesis.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 13, p. 1015, 1976 DOI: 10.1002/jhet.5570130515
Synthesis, p. 1079, 1993
[Synthesis]

To a solution of ethyl 3,3-diethoxypropionate (20 g) in water (50 mL) was added sodium hydroxide (5 g) at room temperature and the reaction was heated to 110°C and stirred at this temperature for 1 hour. Then the reaction system was naturally cooled to room temperature, diluted with water (2L), extracted with ethyl acetate (1L), the extract was washed with saturated brine (1L), dried over anhydrous sodium sulfate and filtered; the filtrate was directly concentrated to obtain To the crude was added thionyl chloride (30 mL) and the reaction was heated to 70°C and stirring was continued at this temperature for one hour. After the reaction, the reaction solution was directly concentrated under reduced pressure to obtain a brown solid 3-Ethoxyacryloyl chloride (14 g, yield 90%).
[References]

[1] Patent: WO2009/140342, 2009, A1. Location in patent: Page/Page column 118-119
[2] Patent: US2014/142114, 2014, A1. Location in patent: Paragraph 0464; 0465
Spectrum DetailBack Directory
[Spectrum Detail]

3-Ethoxyacryloyl chloride(6191-99-7)1HNMR
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