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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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV4406
42996LJ
05617BD
10909TC
09417BI

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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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