4-(Trifluoromethyl)phenyl isocyanate, 98%

Catalog No.	Quantity
AAL1257606	5 g

Catalog No. AAL1257606 Supplier Thermo Scientific Chemicals Supplier No. L1257606

Description

CAS: 1548-13-6 | C8H4F3NO | 187.12 g/mol

4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of fluorescent photoinduced electron transfer (PET) chemosensors and 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions. It has also been used in the synthesis of 1,8-naphthalimide based colorimetric and fluorescent sensor for anions.

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
4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of fluorescent photoinduced electron transfer (PET) chemosensors and 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions. It has also been used in the synthesis of 1,8-naphthalimide based colorimetric and fluorescent sensor for anions.

Solubility
It hydrolyzes in water.

Notes
Moisture sensitive. Incompatible with oxidizing agents, alcohols, amines and heat.

Specifications

Chemical Identifiers

• CAS: 1548-13-6
• Molecular Formula: C8H4F3NO
• Molecular Weight (g/mol): 187.12
• MDL Number: MFCD00002028
• InChI Key: QZTWVDCKDWZCLV-UHFFFAOYSA-N
• Synonym: 4-trifluoromethyl phenyl isocyanate, 1-isocyanato-4-trifluoromethyl benzene, alpha,alpha,alpha-trifluoro-p-tolyl isocyanate, 4-trifluoromethyl phenylisocyanate, 4-isocyanatobenzotrifluoride, 4-trifluoromethylphenyl isocyanate, benzene, 1-isocyanato-4-trifluoromethyl, p-trifluoromethylphenyl isocyanate, isocyanic acid 4-trifluoromethyl phenyl ester, 4-trifluoromethyl benzenisocyanate
• PubChem CID: 73768
• IUPAC Name: 1-isocyanato-4-(trifluoromethyl)benzene
• SMILES: FC(F)(F)C1=CC=C(C=C1)N=C=O

• Density: 1.31
• Boiling Point: 91°C to 94°C (35 mmHg)
• Flash Point: 70°C (158°F)
• Odor: Pungent
• Refractive Index: 1.471
• Quantity: 5 g
• UN Number: UN2285
• Beilstein: 881041
• Sensitivity: Moisture sensitive
• Solubility Information: It hydrolyzes in water.
• Formula Weight: 187.12
• Percent Purity: 98%
• Chemical Name or Material: 4-(Trifluoromethyl)phenyl isocyanate

Safety and Handling

Hazard Category	H227-H302+H312-H315-H319-H330-H334-H335
Hazard Statement	GHS H Statement H330-H334-H227-H315-H319-H335 Fatal if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Combustible liquid. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P235-P260-P264b-P270-P271-P280-P284-P285-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P312-P330-P332+P313-P362-P370+P378q-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: I
EINECSNumber	216-284-6
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only