4'-Amino-[1,1'-biphenyl]-4-carbonitrile

Name: 4'-Amino-[1,1'-biphenyl]-4-carbonitrile
Brand: ChemScene
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CAS No. 4854-84-6
Cat. No. CS-W015735
Purity≥97%
MDL No.MFCD00191367

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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'-Amino-[1,1'-biphenyl]-4-carbonitrile|CS-W015735

Structure of 4854-84-6

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General Information

CAS No. 4854-84-6
Cat. No. CS-W015735
Purity ≥97%
MDL No. MFCD00191367
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₀N₂
Molecular Weight 194.24
Synonym(s) 4'-Aminobiphenyl-4-carbonitrile
SMILES N#CC1=CC=C(C2=CC=C(N)C=C2)C=C1

Description

4'-Amino-[1,1'-biphenyl]-4-carbonitrile features a dual functional group architecture: an electron-rich aniline moiety paired with a strongly electron-withdrawing nitrile group. This arrangement enables effective conjugation and polarity modulation, facilitating integration into π-conjugated systems for materials applications. The molecule exhibits bench-stable handling and compatibility with standard cross-coupling protocols.

Application

4'-Amino-[1,1'-biphenyl]-4-carbonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of biaryl scaffolds via standard cross-coupling reactions. The amino and nitrile groups provide orthogonal functional handles for sequential derivatization, offering excellent stability under routine bench conditions and compatibility with common protecting group strategies. Its structure facilitates efficient incorporation into heterocyclic systems and advanced API intermediates through well-established synthetic protocols.

Synthesis

Route1
- In-stock
  
  126747-14-6
- 106-40-1
- ~86%
- In-stock
  
  4854-84-6
References
- Du, Zhengyin; Zhou, Wanwei; Wang, Fen; Wang, Jin-Xian Tetrahedron, 2011 , vol. 67, # 26 p. 4914 - 4918
Route2
- 31835-63-9
- ~92%
- In-stock
  
  4854-84-6
References
- You; Brezzell; Das; Hooberman; Sinsheimer Mutation Research - Genetic Toxicology Testing and Biomonitoring of Environmental or Occupational Exposure, 1994 , vol. 320, # 1-2 p. 45 - 58
Route3
- In-stock
  
  126747-14-6
- In-stock
  
  540-37-4
- ~39%
- In-stock
  
  2920-38-9
- In-stock
  
  4854-84-6
References
- Hird, Michael; Seed, Alexander J.; Toyne, Kenneth J. Synlett, 1999 , # 4 p. 438 - 440

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS09
Signal Word : Danger	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H302+H312-H318-H332-H400
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

TPSA 49.81
LogP 2.80748
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Biphenyls

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4'-Amino-[1,1'-biphenyl]-4-carbonitrile

CAS No. 4854-84-6

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