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3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%
CAS: 16588-74-2 | C9H3F6NO | 255.119 g/mol
$66.21 - $208.30
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 |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAL0958203
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Thermo Scientific Chemicals
L0958203 |
1 g |
Each for $66.21
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AAL0958206
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Thermo Scientific Chemicals
L0958206 |
5 g |
Each for $208.30
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Description
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.
Applications3,5-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.
Chemical Identifiers
| 16588-74-2 | |
| 255.119 | |
| NRSSOFNMWSJECS-UHFFFAOYSA-N | |
| 2733314 | |
| C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F |
| C9H3F6NO | |
| MFCD00013559 | |
| 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 | |
| 1-isocyanato-3,5-bis(trifluoromethyl)benzene |
Specifications
| 16588-74-2 | |
| 62°C (2 mmHg) | |
| Pungent | |
| 1.43 | |
| 1 g | |
| 542272 | |
| 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 | |
| NRSSOFNMWSJECS-UHFFFAOYSA-N | |
| 1-isocyanato-3,5-bis(trifluoromethyl)benzene | |
| 2733314 | |
| 98% |
| 1.476 | |
| 67°C (152°F) | |
| C9H3F6NO | |
| MFCD00013559 | |
| UN2206 | |
| Moisture sensitive | |
| Hydrolyzes with water. | |
| C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F | |
| 255.119 | |
| 255.12 | |
| 3,5-Bis(trifluoromethyl)phenyl isocyanate |
Safety and Handling
GHS H Statement
H331-H334-H227-H302-H315-H319-H335
Toxic if inhaled.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Combustible liquid.
Harmful if swallowed.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
P210-P235-P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P370+P378q-P501c
H227-H302+H312+H332-H315-H319-H335
DOTInformation : Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: ISOCYANATES, TOXIC, N.O.S.
TSCA : No
Recommended Storage : Keep cold
RUO – Research Use Only