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104-12-1,MFCD00002024
Catalog No.:AA003L54

104-12-1 | 4-Chlorophenyl Isocyanate

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5g
98%
in stock  
$93.00   $65.00
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25g
98%
in stock  
$129.00   $90.00
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100g
98%
in stock  
$232.00   $163.00
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500g
98%
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$845.00   $592.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003L54
Chemical Name:
4-Chlorophenyl Isocyanate
CAS Number:
104-12-1
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.5658
MDL Number:
MFCD00002024
SMILES:
O=C=Nc1ccc(cc1)Cl
NSC Number:
76589
UN Number:
2206
Properties
Properties
 
BP:
214.6°C at 760 mmHg  
Form:
Solid  
MP:
26-29 °C(lit.)  
Refractive Index:
n20/D 1.5618(lit.)  
Stability:
Moisture Sensitive/Lachrymatory  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
146  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.3  

Literature

Title: Inhibition of protein translocation at the endoplasmic reticulum promotes activation of the unfolded protein response.

Journal: The Biochemical journal 20120315

Title: 5-(4-Chloro-phen-yl)-6-isopropyl-5,6-dihydro-4H-pyrrolo-[3,4-c]isoxazole.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: Characterization of cytochrome P450-mediated bioactivation of a compound containing the chemical scaffold, 4,5-dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide), to a chemically reactive p-chlorophenyl isocyanate intermediate in human liver microsomes.

Journal: Chemical research in toxicology 20090901

Title: 3,3'-Bis(4-chloro-phen-yl)-2,2'-(m-phenyl-enedi-oxy)diquinazolin-4(3H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: 2-(4-Chloro-anilino)-3-(2-hydroxy-ethyl)quinazolin-4(3H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Bioactivation of a dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide) scaffold to a putative p-chlorophenyl isocyanate in rat liver microsomes and in vivo in rats.

Journal: Chemical research in toxicology 20080501

Title: N,N'-Bis(4-chloro-phen-yl)urea.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: Biomarkers for isocyanate exposure: Synthesis of isocyanate DNA adducts.

Journal: Chemical research in toxicology 20061201

Title: Application of on-line electrochemical derivatization coupled with high-performance liquid chromatography electrospray ionization mass spectrometry for detection and quantitation of (p-chlorophenyl)aniline in biological samples.

Journal: Analytical chemistry 20060401

Title: Amino-functionalized ionic liquid as a nucleophilic scavenger in solution phase combinatorial synthesis.

Journal: Journal of combinatorial chemistry 20050101

Title: Preparation, properties, and chemical reactivity of alpha-nitrosulfoximines, chiral analogues of alpha-nitrosulfones.

Journal: The Journal of organic chemistry 20020503

Title: Glutathione-dependent metabolism of the antitumor agent sulofenur. Evidence for the formation of p-chlorophenyl isocyanate as a reactive intermediate.

Journal: Chemical research in toxicology 20020201

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