| Identification | More | [Name]
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE | [CAS]
16588-74-2 | [Synonyms]
1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE
3,5-DI(TRIFLUOROMETHYL)PHENYLISOCYANATE
3,5-Bis(trifluoromethyl)phenyl isocyanate 97%
3,5-Bis(trifluoromethyl)phenylisocyanate97% | [Molecular Formula]
C9H3F6NO | [MDL Number]
MFCD00013559 | [Molecular Weight]
255.12 | [MOL File]
16588-74-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Boiling point ]
62 °C (2 mmHg) | [density ]
1.476 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.43(lit.)
| [Fp ]
154 °F
| [form ]
Liquid | [color ]
Clear colorless | [Water Solubility ]
Hydrolyzes with water. | [Sensitive ]
Moisture Sensitive | [BRN ]
542272 | [InChI]
1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H | [InChIKey]
NRSSOFNMWSJECS-UHFFFAOYSA-N | [SMILES]
FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=O | [CAS DataBase Reference]
16588-74-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 2206 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29291090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid | [Uses]
3,5-Bis(trifluoromethyl)phenyl isocyanate may be used in following studies:
- 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.
| [Uses]
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. |
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