(2,3-Difluorophenyl)thiourea - CAS 572889-25-9

Catalog:	BB029630
Product Name:	(2,3-Difluorophenyl)thiourea
CAS:	572889-25-9
Synonyms:	(2,3-difluorophenyl)thiourea

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,3-difluorophenyl)thiourea
Description:	(2,3-Difluorophenyl)thiourea (CAS# 572889-25-9) is a useful research chemical.
Molecular Weight:	188.20
Molecular Formula:	C7H6F2N2S
Canonical SMILES:	C1=CC(=C(C(=C1)F)F)NC(=S)N
InChI:	InChI=1S/C7H6F2N2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key:	UUQZTECZSCPOLX-UHFFFAOYSA-N
Boiling Point:	251.2 °C at 760 mmHg
Density:	1.493 g/cm³
MDL:	MFCD07368705
LogP:	2.39360

Publication Number	Title	Priority Date
CN-113493219-A	Tin dioxide quantum dot material, preparation method thereof and photoelectric device	20200407
WO-2021203609-A1	Tin oxide quantum dot material and preparation method therefor, and photoelectric device	20200407
WO-2021166952-A1	Method for producing polythioether compound	20200219
US-2020268615-A1	Dual-Curing Dental Compositions with High Stability	20190226
US-11020324-B2	Dual-curing dental compositions with high stability	20190226

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Other Pyrimidines

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Sulfur Compounds

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

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.02197570
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.02197570
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3