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3-(Trifluoromethyl)phenyl isothiocyanate, 98%

Catalog No. AAL1164603
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Catalog No. AAL1164603 Supplier Thermo Scientific Chemicals Supplier No. L1164603
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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.

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

Specifications

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
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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

RUO – Research Use Only