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

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.

Specifications

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

• 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

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

SDS

RUO – Research Use Only