4-Chloro-3-methylbenzonitrile

Name: 4-Chloro-3-methylbenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 4387-31-9
Cat. No. CS-W003088
Purity≥98%
MDL No.MFCD03452793

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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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4-Chloro-3-methylbenzonitrile|CS-W003088

Structure of 4387-31-9

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General Information

CAS No. 4387-31-9
Cat. No. CS-W003088
Purity ≥98%
MDL No. MFCD03452793
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClN
Molecular Weight None
Synonym(s) 4-CHLORO-3-METHYLBANZONITRILE
SMILES CC1=CC(C#N)=CC=C1Cl

Synthesis

Route1
- In-stock
  
  101349-71-7
- ~%
- In-stock
  
  4387-31-9
References
- Khanna, Ish K.; Weier, Richard M.; Yu, Yi; Xu, Xiang D.; Koszyk, Francis J.; Collins, Paul W.; Koboldt, Carol M.; Veenhuizen, Amy W.; Perkins, William E.; Casier, Jacquelen J.; Masferrer, Jaime L.; Zhang, Yan Y.; Gregory, Susan A.; Seibert, Karen; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1634 - 1647
Route2
- In-stock
  
  54932-72-8
- ~%
- In-stock
  
  4387-31-9
References
- Khanna, Ish K.; Weier, Richard M.; Yu, Yi; Xu, Xiang D.; Koszyk, Francis J.; Collins, Paul W.; Koboldt, Carol M.; Veenhuizen, Amy W.; Perkins, William E.; Casier, Jacquelen J.; Masferrer, Jaime L.; Zhang, Yan Y.; Gregory, Susan A.; Seibert, Karen; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1634 - 1647

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 23.79
LogP 2.5201
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Chloro-3-methylbenzonitrile

CAS No. 4387-31-9

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Synthesis

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