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365793

Sigma-Aldrich

2-Chloro-5-(trifluoromethyl)benzonitrile

97%

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About This Item

Linear Formula:
ClC6H3(CF3)CN
CAS Number:
328-87-0
Molecular Weight:
205.56
Beilstein:
1912184
EC Number:
206-338-7
MDL number:
MFCD00019742
UNSPSC Code:
12352100
PubChem Substance ID:
24862578
NACRES:
NA.22

Assay

97%

form

solid

bp

210-212 °C (lit.)

mp

38-42 °C (lit.)

density

1.481 g/mL at 25 °C (lit.)

functional group

chloro
fluoro
nitrile

SMILES string

FC(F)(F)c1ccc(Cl)c(c1)C#N

InChI

1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H

InChI key

LCISFYAQKHOWBP-UHFFFAOYSA-N

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General description

Synthesis of 2-chloro-5-trifluoromethyl-benzonitrile, via Sandmeyer reaction of 2-chloro-5-trifluoromethylaniline with copper cyanide/sodium cyanide, is reported.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

213.8 °F - closed cup

Flash Point(C)

101 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

365793-BULK:
365793-1G:4548173140384
365793-5G:4548173140391
365793-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV4406
42996LJ
05617BD
10909TC
08711MQ

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Scale-up and safety evaluation of a Sandmeyer reaction.
Nielsen MA, et al.
Organic Process Research & Development, 8(6), 1059-1064 (2004)

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