1-(3'-Chloro-[1,1'-biphenyl]-4-yl)ethan-1-one

Name: 1-(3'-Chloro-[1,1'-biphenyl]-4-yl)ethan-1-one
Brand: ChemScene
Availability: OutOfStock
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CAS No. 5002-13-1
Cat. No. CS-0452996
Molecule weight230.69
Purity≥98%
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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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

1-(3'-Chloro-[1,1'-biphenyl]-4-yl)ethan-1-one|CS-0452996

Structure of 5002-13-1

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General Information

CAS No. 5002-13-1
Cat. No. CS-0452996
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₁ClO
Molecular Weight 230.69
Synonym(s) 4-Acetyl-3'-chlorobiphenyl
SMILES CC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)Cl

Synthesis

Route1
- In-stock
  
  108-37-2
- In-stock
  
  149104-90-5
- ~%
- 5002-13-1
References
- Antelo Miguez, Jose M.; Adrio, Luis Angel; Sousa-Pedrares, Antonio; Vila, Jose M.; Hii, King Kuok Journal of Organic Chemistry, 2007 , vol. 72, # 20 p. 7771 - 7774
Route2
- 2051-61-8
- 75-36-5
- ~%
- 5002-13-1
References
- Byron,D.J. et al. Journal of the Chemical Society [Section] C: Organic, 1966 , p. 840 - 845

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 17.07
LogP 4.2096
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3'-Chloro-[1,1'-biphenyl]-4-yl)ethan-1-one

CAS No. 5002-13-1

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