4-Chloro-2-methyl-5-nitrobenzonitrile

Name: 4-Chloro-2-methyl-5-nitrobenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 178448-14-1
Cat. No. CS-0182136
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+

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4-Chloro-2-methyl-5-nitrobenzonitrile|CS-0182136

Structure of 178448-14-1

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General Information

CAS No. 178448-14-1
Cat. No. CS-0182136
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅ClN₂O₂
Molecular Weight 196.59
Synonym(s) 4-chloro-2-methyl-5-nitro-benzonitrile
SMILES N#CC1=CC([N+]([O-])=O)=C(Cl)C=C1C

Synthesis

Route1
- In-stock
  
  50712-68-0
- ~10%
- In-stock
  
  178448-14-1
References
- Hartz, Richard A.; Ahuja, Vijay T.; Rafalski, Maria; Schmitz, William D.; Brenner, Allison B.; Denhart, Derek J.; Ditta, Jonathan L.; Deskus, Jeffrey A.; Yue, Eddy W.; Arvanitis, Argyrios G.; Lelas, Snjezana; Li, Yu-Wen; Molski, Thaddeus F.; Wong, Harvey; Grace, James E.; Lentz, Kimberley A.; Li, Jianqing; Lodge, Nicholas J.; Zaczek, Robert; Combs, Andrew P.; Olson, Richard E.; Mattson, Ronald J.; Bronson, Joanne J.; Macor, John E. Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4161 - 4172
Route2
- 34648-99-2
- ~%
- In-stock
  
  178448-14-1
References
- Claus; Stapelberg Justus Liebigs Annalen der Chemie, 1893 , vol. 274, p. 291

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 66.93
LogP 2.4283
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Chloro-2-methyl-5-nitrobenzonitrile

CAS No. 178448-14-1

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General Information

Synthesis

References