4-Chloro-6-ethyl-5-fluoropyrimidine - CAS 137234-74-3

Name: 4-Chloro-6-ethyl-5-fluoropyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008528
Product Name:	4-Chloro-6-ethyl-5-fluoropyrimidine
CAS:	137234-74-3
Synonyms:	4-chloro-6-ethyl-5-fluoropyrimidine; 4-chloro-6-ethyl-5-fluoropyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-6-ethyl-5-fluoropyrimidine
Description:	A pyrimidine derivative used as a building block in the preparation of bio-active compounds such as broad-spectrum triazole antifungal agents.
Molecular Weight:	160.58
Molecular Formula:	C6H6ClFN2
Canonical SMILES:	CCC1=C(C(=NC=N1)Cl)F
InChI:	InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
InChI Key:	LKTGVRWVTAJGMS-UHFFFAOYSA-N
Boiling Point:	211 °C
Purity:	98 %
Density:	1.286 g/cm³
Appearance:	Slight yellow liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD07782087
LogP:	1.83150

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[2252403-82-8]C16H14ClFN4O2
7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
[944580-98-7]C8H5F3N2
8-(Trifluoromethyl)imidazo[1,2-a]pyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111217758-A	Preparation method of 6-ethyl-5-fluoro-4-chloropyrimidine	20200318
WO-2020223715-A1	Substituted (piperidin-1-yl)aryl analogues for modulating avilactivity	20190502
WO-2020169025-A1	Method for preparing voriconazole and intermediate thereof	20190219
CN-108059617-B	Impurity of voriconazole starting material 4-chloro-6-ethyl-5-fluoropyrimidine and synthesis method thereof	20180206
CN-108169382-B	Method for detecting impurities in voriconazole starting material 4-chloro-6-ethyl-5-fluoropyrimidine	20180206

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0203541
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.0203541
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1