2,3,4-Trifluorophenyl isocyanate - CAS 190774-58-4

Catalog:	BB014750
Product Name:	2,3,4-Trifluorophenyl isocyanate
CAS:	190774-58-4
Synonyms:	1,2,3-trifluoro-4-isocyanatobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2,3-trifluoro-4-isocyanatobenzene
Description:	2,3,4-Trifluorophenyl isocyanate (CAS# 190774-58-4) is used as a reactant in the preparation and SAR of urea derivatives as anti-tuberculosis agents.
Molecular Weight:	173.09
Molecular Formula:	C7H2F3NO
Canonical SMILES:	C1=CC(=C(C(=C1N=C=O)F)F)F
InChI:	InChI=1S/C7H2F3NO/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:	LSKOUPSEWMJCEP-UHFFFAOYSA-N
Boiling Point:	100-103 °C / 15 mmHg (lit.)
Density:	1.432 g/mL at 25 °C (lit.)
MDL:	MFCD00673052
LogP:	2.07120

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
KR-20210102942-A	Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof	20181212
EP-3584236-A1	Polycyclic compounds soluble epoxide hydrolase inhibitors	20180620
WO-2019243414-A1	Polycyclic compounds as soluble epoxide hydrolase inhibitors	20180620
AU-2019291034-A1	Polycyclic compounds as soluble epoxide hydrolase inhibitors	20180620

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]
2,4-Difluorotoluene
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1211518-11-4]
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.00884817
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.00884817
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3