5-(3-Fluorobenzyl)-1,3-thiazol-2-amine - CAS 884497-40-9

Name: 5-(3-Fluorobenzyl)-1,3-thiazol-2-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038880
Product Name:	5-(3-Fluorobenzyl)-1,3-thiazol-2-amine
CAS:	884497-40-9
Synonyms:	5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-amine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-amine
Description:	5-(3-Fluorobenzyl)-1,3-thiazol-2-amine (CAS# 884497-40-9) is a useful research chemical.
Molecular Weight:	208.26
Molecular Formula:	C10H9FN2S
Canonical SMILES:	C1=CC(=CC(=C1)F)CC2=CN=C(S2)N
InChI:	InChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChI Key:	TZTVOZBUYKWEMJ-UHFFFAOYSA-N
Boiling Point:	346.2 °C at 760 mmHg
Purity:	95 %
Density:	1.317 g/cm³
LogP:	3.03640

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Related Functional Groups

Fluorinated Building Blocks

[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[452-76-6]C7H6F2
2,4-Difluorotoluene
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020198026-A1	Compounds and uses thereof	20190322
WO-2019183587-A1	Compounds and uses thereof	20180323
AU-2019238326-A1	Compounds and uses thereof	20180323
BR-112020019191-A2	COMPOUNDS AND THEIR USES	20180323
CN-112312913-A	Compounds and uses thereof	20180323

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.04704763
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.04704763
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7