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4-(Trifluoromethyl)phenyl isothiocyanate, 98+%

Catalog No. AAL1189003
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AAL1189006 5 g
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Catalog No. AAL1189003 Supplier Thermo Scientific Chemicals Supplier No. L1189003
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CAS: 1645-65-4 | C8H4F3NS | 203.182 g/mol

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.

Chemical Identifiers

CAS 1645-65-4
Molecular Formula C8H4F3NS
Molecular Weight (g/mol) 203.182
MDL Number MFCD00039645
InChI Key DQEVDFQAYLIBRD-UHFFFAOYSA-N
Synonym 4-trifluoromethyl phenyl isothiocyanate, 1-isothiocyanato-4-trifluoromethyl benzene, 4-trifluoromethyl phenylisothiocyanate, 4-trifluoromethylphenylisothiocyanate, p-trifluoromethylphenyl isothiocyanate, benzene, 1-isothiocyanato-4-trifluoromethyl, alpha,alpha,alpha-trifluoro-p-tolyl isothiocyanate, isothiocyanic acid 4-trifluoromethyl phenyl ester, 4-trifluoromethylphenyl isothiocyanate, 1-isothiocyanato-4-trifluoromethyl-benzene
PubChem CID 137134
IUPAC Name 1-isothiocyanato-4-(trifluoromethyl)benzene
SMILES C1=CC(=CC=C1C(F)(F)F)N=C=S

Specifications

Melting Point 39°C to 42°C
Boiling Point 207°C
Flash Point >110°C (230°F)
Odor Pungent
Quantity 1 g
UN Number UN2923
Beilstein 2693553
Sensitivity Moisture sensitive
Formula Weight 203.19
Percent Purity ≥98%
Chemical Name or Material 4-(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 Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE SOLIDS, TOXIC, N.O.S.
TSCA No
Recommended Storage Ambient temperatures

RUO – Research Use Only