Crotonyl chloride

• CAS: 10487-71-5
• Catalog Number: ACM10487715
• Category: Other Products
• Molecular Weight: 104.53
• Molecular Formula: C₄H₅ClO
• Synonyms: 2-Butenoyl chloride;2-butenoylchloride;but-2-enoylchloride;TRANS-2-BUTENOYL CHLORIDE;CROTONYL CHLORIDE;CROTONOYL CHLORIDE;CROTONIC ACID CHLORIDE;E-CROTONYL CHLORIDE
• Boiling Point: 120-123°C(lit.)
• Flash Point: 95°F
• Density: 1.091g/mL at 25°C(lit.)
• Hazard Statements: C
• Safety Description: 16-26-27-36/37/39-45

Custom Q&A

What is the molecular formula of Crotonyl chloride?

The molecular formula of Crotonyl chloride is C4H5ClO.

What is the molecular weight of Crotonyl chloride?

The molecular weight of Crotonyl chloride is 104.53 g/mol.

What is the IUPAC name of Crotonyl chloride?

The IUPAC name of Crotonyl chloride is (E)-but-2-enoyl chloride.

What is the InChI of Crotonyl chloride?

The InChI of Crotonyl chloride is InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+.

What is the InChIKey of Crotonyl chloride?

The InChIKey of Crotonyl chloride is RJUIDDKTATZJFE-NSCUHMNNSA-N.

What is the canonical SMILES of Crotonyl chloride?

The canonical SMILES of Crotonyl chloride is CC=CC(=O)Cl.

What is the CAS number of Crotonyl chloride?

The CAS number of Crotonyl chloride is 625-35-4.

What is the European Community (EC) Number of Crotonyl chloride?

The European Community (EC) Number of Crotonyl chloride is 234-010-3.

What is the XLogP3-AA value of Crotonyl chloride?

The XLogP3-AA value of Crotonyl chloride is 1.6.

How many hydrogen bond acceptor counts does Crotonyl chloride have?

Crotonyl chloride has 1 hydrogen bond acceptor count.

Synthetic Use

Downstream Synthesis Route 1

• 10487-71-5
• 75-65-0

• 14036-55-6

Reference: [1] Journal of Pharmaceutical Sciences, 1975, vol. 64, # 7, p. 1262 - 1264
[2] Journal of the American Chemical Society, 2000, vol. 122, # 45, p. 11090 - 11097

Downstream Synthesis Route 2

• 10487-71-5

• 21050-13-5

Reference: [1] Journal of Organometallic Chemistry, 1989, vol. 368, p. 199 - 208

Downstream Synthesis Route 3

• 94-68-8
• 10487-71-5

• 124236-29-9

Reference: [1]Current Patent Assignee: NOVARTIS AG; Novartis (w/o Sandoz) - DE933804, 1948, C
[DRP/DRBP Org.Chem.][DRP/DRBP Org.Chem.]

Downstream Synthesis Route 4

• 1456-22-0
• 10487-71-5

• 10480-59-8

Reference: [1]Farmaco, Edizione Scientifica,1966,vol. 21,p. 346 - 354

* For details of the synthesis route, please refer to the original source to ensure accuracy.