Allidochlor | CAS No. 93-71-0

Allidochlor

Basic Information

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CAS Number

93-71-0

Molecular Formula

C8H12ClNO

Molecular Weight

173.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

145 ºC

Boiling Point

242 ºC

Density

1.042

Flash Point

100 ºC

Refractive Index

nD25 1.4932

SMILES

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C=CCN(CC=C)C(=O)CCl

InChI

InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2

InChIKey

MDBGGTQNNUOQRC-UHFFFAOYSA-N

LogP

1.4258

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H411

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 orally in rats: 700 mg/kg (Bailey, White)

Synonyms & References

English

Acetamide,2-chloro-N,N-di-2-propen-1-yl-
2-chloro-N,N-bis(prop-2-enyl)acetamide
2-Chloro-N,N-Diallylacetamide
ALLIDOCHLOR
N,N-Diallyl-2-chloroacetamide
N,N-Diallyl-2-chloroacetamide Solution
2-chloro-N,N-di(prop-2-en-1-yl)acetamide
2-chloro-N,N-di-2-propen-1-ylacetamide
CDAA
Randox
alpha-Chloro-N,N-diallylacetamide
N,N-Diallylchloroacetamide
Alidochlore
2-Chloro-N,N-di-2-propen-1-ylacetamide (ACI)
Acetamide, 2-chloro-N,N-di-2-propenyl- (9CI)
Acetamide, N,N-diallyl-2-chloro- (8CI)
2-Chloro-N,N-bis(prop-2-en-1-yl)acetamide
2-Chloro-N,N-diallylacetamide
Alidochlor
Allidochlor
CP 6,343
Lucaoxian
N,N-Diallyl-α-chloroacetamide
α-Chloro-N,N-diallylacetamide
SCHEMBL53540
EPA Pesticide Chemical Code 019301
2ChloroN,Ndiallylacetamide
2-Chloro-N,N-di-2-propenylacetamide
4-04-00-01064 (Beilstein Handbook Reference)
E79184
Diallylamid kyseliny chloroctove

MDL Number

MFCD00034186

Customs Code

2924199016

FAQ

What are the physical and chemical properties of Allidochlor (CAS: 93-71-0)?

Allidochlor (CAS: 93-71-0) is a crystalline compound with a molecular weight of approximately 216.67 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles and bases, making it suitable for various chemical transformations.

How is Allidochlor (CAS: 93-71-0) typically synthesized?

Allidochlor (CAS: 93-71-0) is synthesized through a multi-step reaction involving the chlorination of a specific alcohol. Commonly, this involves the use of phosphorus oxychloride and thionyl chloride as reagents. The process typically achieves a yield of around 70%, with good selectivity towards the desired product.

What industries use Allidochlor (CAS: 93-71-0)?

Allidochlor (CAS: 93-71-0) is primarily used in the pharmaceutical and chemical industries. It plays a crucial role in the synthesis of certain drugs and as an intermediate in the production of other organic compounds. Additionally, it has some applications in sensor technology and as a reagent in analytical chemistry.

What precautions should be taken when handling Allidochlor (CAS: 93-71-0)?

When handling Allidochlor (CAS: 93-71-0), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate materials, and proper disposal procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.