4-(3,4-Dichlorophenyl)-4-oxobutanoic acid

Name: 4-(3,4-Dichlorophenyl)-4-oxobutanoic acid
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 50597-19-8
Cat. No. CS-0157139
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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*For research and further manufacturing use only, not for direct human use.

4-(3,4-Dichlorophenyl)-4-oxobutanoic acid|CS-0157139

Structure of 50597-19-8

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General Information

CAS No. 50597-19-8
Cat. No. CS-0157139
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈Cl₂O₃
Molecular Weight 247.07
Synonym(s) OTAVA-BB 1043527
SMILES C1=CC(=C(C=C1C(=O)CCC(=O)O)Cl)Cl

Synthesis

Route1
- In-stock
  
  108-30-5
- 95-50-1
- ~92%
- 50597-19-8
References
- Quallich, George J.; Williams, Michael T.; Friedmann, Robert C. Journal of Organic Chemistry, 1990 , vol. 55, # 16 p. 4971 - 4973
Route2
- 75381-58-7
- ~%
- 50597-19-8
References
- American Cyanamid Company Patent: US4226775 A1, 1980 ; US 4226775 A

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 54.37
LogP 3.0409
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(3,4-Dichlorophenyl)-4-oxobutanoic acid

CAS No. 50597-19-8

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General Information

Synthesis

References