3-(Trifluoromethyl)phenyl isothiocyanate, 98%

Description

CAS: 1840-19-3 | C8H4F3NS | 203.182 g/mol

Used as pharamaceutical 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
Used as pharamaceutical intermediate.

Solubility
Hydrolyzes in water.

Notes
Keep container tightly sealed. Store in cool, dry conditions in well sealed containers. Incompatible with oxidizing agents. It is sensitive to moisture.

Specifications

Chemical Identifiers

• CAS: 1840-19-3
• Molecular Formula: C8H4F3NS
• Molecular Weight (g/mol): 203.182
• MDL Number: MFCD00004806
• InChI Key: GFEPANUKFYVALF-UHFFFAOYSA-N
• Synonym: 3-trifluoromethyl phenyl isothiocyanate, 1-isothiocyanato-3-trifluoromethyl benzene, 3-trifluoromethyl phenylisothiocyanate, benzene, 1-isothiocyanato-3-trifluoromethyl, m-trifluoromethyl phenyl isothiocyanate, alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate, 3-trifluoromethylphenyl isothiocyanate, 1-isothiocyanato-3-trifluoromethyl-benzene, benzene,1-isothiocyanato-3-trifluoromethyl
• PubChem CID: 137232
• IUPAC Name: 1-isothiocyanato-3-(trifluoromethyl)benzene
• SMILES: C1=CC(=CC(=C1)N=C=S)C(F)(F)F

• Density: 1.335
• Boiling Point: 208°C
• Flash Point: 95°C (203°F)
• Odor: Pungent
• Refractive Index: 1.5547
• Quantity: 1 g
• UN Number: UN2922
• Beilstein: 781205
• Sensitivity: Moisture sensitive
• Solubility Information: Hydrolyzes in water.
• Formula Weight: 203.19
• Percent Purity: 98%
• Chemical Name or Material: 3-(Trifluoromethyl)phenyl isothiocyanate

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-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	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: II
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only