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  8. 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98%

3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98%

Catalog No. AAB2020603
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Catalog No. AAB2020603 Supplier Thermo Scientific Chemicals Supplier No. B2020603
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Description

CAS: 23165-29-9 | C9H3F6NS | 271.18 g/mol

It is used as an active pharmaceutical intermediate.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is used as an active pharmaceutical intermediate.

Solubility
Hydrolyzes in water.

Notes
Moisture sensitive. Store away from alcohols, amines and oxidizing agents. Keep the container tightly closed and place it in a cool, dry and well ventilated condition. Store under inert gas. Protect from water/moisture.

Chemical Identifiers

CAS 23165-29-9
Molecular Formula C9H3F6NS
Molecular Weight (g/mol) 271.18
MDL Number MFCD00040838
InChI Key FXOSSGVJGGNASE-UHFFFAOYSA-N
Synonym 3,5-bis trifluoromethyl phenyl isothiocyanate, 1-isothiocyanato-3,5-bis trifluoromethyl benzene, 3,5-bis trifluoromethyl phenylisothiocyanate, isothiocyanic acid 3,5-bis trifluoromethyl phenyl ester, 3,5-di trifluoromethyl phenyl isothiocyanate, 3,5-bis-trifluoromethyl phenyl isothiocyanate, 3,5-bis-trifluoromethylphenyl isothiocyanate, benzene, 1-isothiocyanato-3,5-bis trifluoromethyl, pubchem5019, acmc-209g1w
PubChem CID 2733395
IUPAC Name 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
SMILES FC(F)(F)C1=CC(=CC(=C1)N=C=S)C(F)(F)F

Specifications

Density 1.485
Boiling Point 109°C to 110°C (35 mmHg)
Flash Point 108°C (226°F)
Odor Irritating
Refractive Index 1.5
Quantity 1 g
UN Number UN2922
Beilstein 2990816
Sensitivity Moisture sensitive
Solubility Information Hydrolyzes in water.
Formula Weight 271.19
Percent Purity 98%
Chemical Name or Material 3,5-Bis(trifluoromethyl)phenyl isothiocyanate
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Safety and Handling

Hazard Category H302+H312+H332-H314-H335
Hazard Statement GHS H Statement
H331-H314-H318-H302-H312
Toxic if inhaled.
Causes severe skin burns and eye damage.
Causes serious eye damage.
Harmful if swallowed.
Harmful in contact with skin.
Precautionary Statement P260-P264b-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P330-P363-P501c
DOTInformation Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE LIQUIDS, TOXIC, N.O.S.
EINECSNumber 000-000-0
TSCA No
Recommended Storage Ambient temperatures

RUO – Research Use Only