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  8. 3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

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

Product Code. 11362147
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Product Code. 11362147 Supplier Thermo Scientific Alfa Aesar Supplier No. L09582.03
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Description

CAS: 16588-74-2 | C9H3F6NO | 255.119 g/mol

3,5-Bis(trifluoromethyl)phenyl isocyanate is used in Chemical derivatization of amino-functionalized model surfaces. Preparation of arylaminothiocarbonylpyridinium zwitterionic salts, via an exothermic reaction with 4-pyrrolidinopyridine. Synthesis of (S)-3-hydroxymethyl-2-methoxymethoxy-2?-(3-(3,5-bis(trifluoromethyl)phenyl)uryl-benzyl)-1,10-binaphthalene. Synthesis of 1-[3,5-bis(trifluoromethyl) phenyl]-3-(2-pyridyl)thiourea, via reaction with 2-amino pyridine in MeCN.

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
3,5-Bis(trifluoromethyl)phenyl isocyanate is used in Chemical derivatization of amino-functionalized model surfaces. Preparation of arylaminothiocarbonylpyridinium zwitterionic salts, via an exothermic reaction with 4-pyrrolidinopyridine. Synthesis of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3,5-bis(trifluoromethyl)phenyl)uryl-benzyl)-1,10-binaphthalene. Synthesis of 1-[3,5-bis(trifluoromethyl) phenyl]-3-(2-pyridyl)thiourea, via reaction with 2-amino pyridine in MeCN.

Solubility
Hydrolyzes with water.

Notes
Moisture Sensitive. Protect from heat. Store away from heat and oxidizing agents. Store under dry inert gas. Protect from humidity and water. Incompatible with heat, amines, alcohols and oxidizing agents.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 16588-74-2
Molecular Formula C9H3F6NO
Molecular Weight (g/mol) 255.119
MDL Number MFCD00013559
InChI Key NRSSOFNMWSJECS-UHFFFAOYSA-N
Synonym 3,5-bis trifluoromethyl phenylisocyanate, 3,5-bis trifluoromethyl phenyl isocyanate, 1-isocyanato-3,5-bis trifluoromethyl benzene, 3,5-bis trifluoromethyl isocyanate, 3,5-di trifluoromethyl phenyl isocyanate, 3,5-di trifluoromethyl phenylisocyanate, 3,5-bis trifluoromethyl benzenisocyanate, pubchem2735, acmc-209dtj, 3,5-bistrifluorometylphenylisocyanate
PubChem CID 2733314
IUPAC Name 1-isocyanato-3,5-bis(trifluoromethyl)benzene
SMILES C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

Spécification

Density 1.476
Boiling Point 62°C (2 mmHg)
Flash Point 67°C (152°F)
Odor Pungent
Refractive Index 1.43
Quantity 1 g
UN Number UN2206
Beilstein 542272
Sensitivity Moisture sensitive
Solubility Information Hydrolyzes with water.
Formula Weight 255.12
Percent Purity 98%
Chemical Name or Material 3,5-Bis(trifluoromethyl)phenyl isocyanate
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