(2E)-2-Butenoyl chloride

Basic Information

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CAS Number

625-35-4

Molecular Formula

C4H5ClO

Molecular Weight

104.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

120-123 °C

Density

1.091 g/mL at 25 °C

Water Solubility

Reacts with water.

Refractive Index

n20/D 1.459(lit.)

SMILES

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CC=CC(=O)Cl

InChI

InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+

InChIKey

RJUIDDKTATZJFE-NSCUHMNNSA-N

LogP

1.3279

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

75.6

Safety Information

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GHS Hazard Pictograms

H226

H314

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

10487-71-5
Crotonoyl chloride, technical grade, 90%
EN300-19906
(E)-2-BUTENOYL CHLORIDE(STABILIZED WITH HQ)
InChI=1/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2
SCHEMBL245655
EINECS 210-889-9
(E)-crotonyl chloride
D78102
(E)-2-Butenoyl chloride
EINECS 234-010-3
F20351
Crotonoyl chloride
Crotonyl chloride
MFCD00000734
Q1141616
2-Butenoyl chloride, (E)-
(E)-CH3CH=CHCOCl
2-Butenoyl chloride
(2E)-but-2-enoyl chloride
(2E)-2-Butenoyl chloride
DTXSID201314046
EN300-658464
A833831
E-Crotonoyl chloride
but-2-enoyl chloride
trans-crotonoyl chloride
(E)-but-2-enoyl chloride
Crotonyl chloride, tech. 90%
8-(Benzyloxy)-imidazo[1,5-a]pyridine, hydrochloride
Crotonoyl chloride (E)-

MDL Number

MFCD00000734

Customs Code

29161900

FAQ

What is (2E)-2-Butenoyl chloride (CAS: 625-35-4)?

(2E)-2-Butenoyl chloride, also known as allyl chloroacetate, is a colorless to light yellow liquid with a strong odor. It has the chemical formula C5H8O2Cl and a CAS number of 625-35-4. It is used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds due to its reactivity and functionality.

What are the main uses of (2E)-2-Butenoyl chloride (CAS: 625-35-4)?

(2E)-2-Butenoyl chloride is primarily used in the production of pharmaceutical intermediates, agrochemicals, and flavor and fragrance compounds. It is also employed in laboratory research for its reactivity and as a reagent in organic synthesis. Its applications span across various industries including fine chemicals, pharmaceuticals, and agrochemicals.

Is (2E)-2-Butenoyl chloride (CAS: 625-35-4) safe?

(2E)-2-Butenoyl chloride is classified as a hazardous material and requires proper handling and storage to ensure safety. It is toxic and may cause irritation to the eyes, skin, and respiratory system. Users should wear appropriate personal protective equipment, such as gloves and respiratory masks, when handling this compound. It should be stored in a cool, dry place away from heat and sources of ignition.

How should (2E)-2-Butenoyl chloride (CAS: 625-35-4) be stored?

(2E)-2-Butenoyl chloride should be stored in a cool, dry place away from heat and sources of ignition. Maintain a temperature below 25°C and avoid exposure to direct sunlight or other sources of light. Store in a tightly sealed container made of appropriate material, such as glass or a suitable plastic, to prevent contact with moisture. Ensure proper ventilation in the storage area to avoid the accumulation of flammable gases. Keep it away from incompatible materials like bases and strong oxidizers to prevent reactions and hazards.