2-(4-Amino-3-bromophenyl)acetonitrile

Name: 2-(4-Amino-3-bromophenyl)acetonitrile
Brand: ChemScene
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CAS No. 882855-96-1
Cat. No. CS-0313838
Molecule weight211.06
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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2-(4-Amino-3-bromophenyl)acetonitrile|CS-0313838

Structure of 882855-96-1

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General Information

CAS No. 882855-96-1
Cat. No. CS-0313838
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrN₂
Molecular Weight 211.06
Synonym(s) (4-AMINO-3-BROMO-PHENYL)-ACETONITRILE
SMILES C1=CC(=C(C=C1CC#N)Br)N

Synthesis

Route1
- In-stock
  
  3544-25-0
- ~92%
- In-stock
  
  882855-96-1
References
- JANSSEN PHARMACEUTICA, N.V. Patent: WO2007/123516 A1, 2007 ; Location in patent: Page/Page column 113-114 ; WO 2007/123516 A1
Route2
- 555-21-5
- ~%
- In-stock
  
  882855-96-1
References
- Illig, Carl R.; Manthey, Carl L.; Meegalla, Sanath K.; Wall, Mark J.; Chen, Jinsheng; Wilson, Kenneth J.; Desjarlais, Renee L.; Ballentine, Shelley K.; Schubert, Carsten; Crysler, Carl S.; Chen, Yanmin; Molloy, Christopher J.; Chaikin, Margery A.; Donatelli, Robert R.; Yurkow, Edward; Zhou, Zhao; Player, Mark R.; Tomczuk, Bruce E. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 23 p. 6363 - 6369

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 49.81
LogP 2.09738
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-Amino-3-bromophenyl)acetonitrile

CAS No. 882855-96-1

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General Information

Synthesis

References