374857

3,5-Bis(trifluoromethyl)phenyl isocyanate

98%

Manufacturer: Sigma Aldrich

CAS Number: 16588-74-2

Synonym(S): 1-Isocyanato-3,5-bis(trifluoromethyl)benzene, 3,5-Di(trifluoromethyl)phenyl isocyanate

Select a Size

Pack Size SKU Availability Price
1 G 374857-1-G In Stock ₹ 2,911.93
5 G 374857-5-G In Stock ₹ 9,071.35

374857 - 1 G

₹ 2,911.93

In Stock

Quantity

1

Base Price: ₹ 2,911.93

GST (18%): ₹ 524.147

Total Price: ₹ 3,436.077

Quality Level

100

Assay

98%

form

liquid

refractive index

n20/D 1.43 (lit.)

density

1.476 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=O

InChI

1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

InChI key

NRSSOFNMWSJECS-UHFFFAOYSA-N

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Description

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

SAFETY INFORMATION

Pictograms

GHS08,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312 + H332,H315,H317,H319,H334,H335

Precautionary Statements

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

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

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

154.4 °F

Flash Point(C)

68 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Quality Level:
100

Assay:
98%

form:
liquid

refractive index:
n20/D 1.43 (lit.)

density:
1.476 g/mL at 25 °C (lit.)

SMILES string:
FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=O

InChI:
1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

InChI key:
NRSSOFNMWSJECS-UHFFFAOYSA-N

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FC(F)(F)c1cc(ccc1Cl)N=C=O

InChI:
1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChI key:
NBJZEUQTGLSUOB-UHFFFAOYSA-N

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O=C=NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI:
1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-

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VBHCPGFCIQDXGZ-BIBSGERRSA-N

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COc1nc(Cl)nc(OC)n1

InChI:
1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3

InChI key:
GPIQOFWTZXXOOV-UHFFFAOYSA-N