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143081

Sigma-Aldrich

Phenyl isocyanide dichloride

98%

Synonym(s):

N-(Dichloromethylene)aniline

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About This Item

Linear Formula:
C6H5N=CCl2
CAS Number:
622-44-6
Molecular Weight:
174.03
EC Number:
210-735-0
MDL number:
MFCD00000833
UNSPSC Code:
12352100
PubChem Substance ID:
24848574
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.571 (lit.)

bp

103-106 °C/30 mmHg (lit.)

density

1.265 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cl\C(Cl)=N\c1ccccc1

InChI

1S/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H

InChI key

TTWWZVGVBRPHLE-UHFFFAOYSA-N

Application

Phenyl isocyanide dichloride was used in the synthesis of 5-halo-1-phenyltetrazoles.

Biochem/physiol Actions

Phenyl isocyanide dichloride exhibits spectral interactions with cytochrome P-450 from mouse hepatic microsomes.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H302,H315,H319,H331,H335

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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G A Beumel et al.
General pharmacology, 16(3), 193-197 (1985-01-01)
The binding of isocyanides and the metabolites of piperonyl butoxide (PBO) to reduced cytochrome P-450 in intact microsomes gives rise to the type III optical difference spectrum which is characterized by two pH dependent peaks in the Soret region. Each
5-Halo-1-phenyltetrazoles.
Collibee WL, et al.
The Journal of Organic Chemistry, 60(2), 468-469 (1995)
G A Beumel et al.
General pharmacology, 16(3), 189-192 (1985-01-01)
The spectral interactions of a number of isocyanides with cytochrome P-450 were investigated. An interaction between the hydrophobic nature of the side chain and the spectral interaction was apparent. The concentration of the isocyanide affected the stability of the complex.

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