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2-Chloro-5-(trifluoromethyl)benzonitrile - 98%, high purity , CAS No.328-87-0

  • ≥98%
Item Number
C120886
Grouped product items
SKUSizeAvailabilityPrice Qty
C120886-1g
1g
≥10
$14.90
C120886-5g
5g
4
$55.90
C120886-25g
25g
3
$212.90
C120886-100g
100g
5
$766.90
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View related series
Non heterocyclic fluorine-containing block (1408) Synthetic block (742)

Basic Description

SynonymsAKOS005063755 | BBL009985 | MFCD00019742 | C2050 | CK1059 | Z381674952 | InChI=1/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H | CS-W002122 | DTXSID6059815 | 3-cyano-4-chlorobenzotrifluoride | EN300-38894 | NCIOpen2_005388 | NSC88338 | NSC-88338 | 2-Ch
Specifications & Purity≥98%
Shipped InNormal
Product Description

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

AI Insight

Names and Identifiers

Pubchem Sid488183962
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183962
IUPAC Name 2-chloro-5-(trifluoromethyl)benzonitrile
INCHI InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H
InChi Key LCISFYAQKHOWBP-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1C(F)(F)F)C#N)Cl
Isomeric SMILES C1=CC(=C(C=C1C(F)(F)F)C#N)Cl
WGK Germany 3
PubChem CID 67604
Molecular Weight 205.56
Beilstein 1912184
Reaxy-Rn 1912184

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDateItem
A2416147Certificate of AnalysisNov 24, 2023 C120886
A2416148Certificate of AnalysisNov 24, 2023 C120886
A2306193Certificate of AnalysisJan 17, 2023 C120886
L2220068Certificate of AnalysisJan 04, 2023 C120886
K2229215Certificate of AnalysisDec 06, 2022 C120886
H1418047Certificate of AnalysisJun 15, 2022 C120886
G1401010Certificate of AnalysisApr 26, 2022 C120886
E2217080Certificate of AnalysisMar 15, 2022 C120886
E2217100Certificate of AnalysisMar 15, 2022 C120886

Chemical and Physical Properties

SolubilitySoluble in Methanol
Flash Point(°F)213.8 °F
Flash Point(°C)101°(213°F)
Boil Point(°C)210-212°C
Melt Point(°C)36-41°C
Molecular Weight205.560 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass204.991 Da
Monoisotopic Mass204.991 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count13
Formal Charge0
Complexity229.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Safety and Hazards(GHS)

Pictogram(s) GHS06,   GHS07
Signal Danger
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

H311:Toxic in contact with skin

H302:Harmful if swallowed

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352:IF ON SKIN: wash with plenty of water.

P321:Specific treatment (see ... on this label).

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P271:Use only outdoors or in a well-ventilated area.

P270:Do not eat, drink or smoke when using this product.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P362+P364:Take off contaminated clothing and wash it before reuse.

P330:Rinse mouth.

P361+P364:Take off immediately all contaminated clothing and wash it before reuse.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P316:Get emergency medical help immediately.

P319:Get medical help if you feel unwell.

WGK Germany 3
Reaxy-Rn 1912184

Related Documents

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 Specification Sheet

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