5-Bromo-2-fluoropyrimidine - CAS 62802-38-4

Catalog:	BB031807
Product Name:	5-Bromo-2-fluoropyrimidine
CAS:	62802-38-4
Synonyms:	5-bromo-2-fluoropyrimidine; 5-bromo-2-fluoropyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-fluoropyrimidine
Description:	5-Bromo-2-fluoropyrimidine (CAS# 62802-38-4) is a useful research chemical.
Molecular Weight:	176.97
Molecular Formula:	C4H2BrFN2
Canonical SMILES:	C1=C(C=NC(=N1)F)Br
InChI:	InChI=1S/C4H2BrFN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChI Key:	CTWZYPZCDJKBRS-UHFFFAOYSA-N
Boiling Point:	227.4 °C at 760 mmHg
Purity:	98 %
Density:	1.439 g/cm³
Appearance:	White to off-white crystalline powder
MDL:	MFCD07787364
LogP:	1.37820

Publication Number	Title	Priority Date
WO-2020249773-A1	Next-generation modulators of stimulator of interferon genes (sting)	20190612
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020179443-A1	Laminate for high-frequency circuit, method for producing same, flexible printed board, b stage sheet, and wound laminate	20190301
TW-202102575-A	Laminated body for high frequency circuit and manufacturing method thereof, flexible printed circuit board, B-stage sheet, and laminated body wound body	20190301

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GHS Hazard Statement:	H302 (84.78%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	72.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.93854
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.93854
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3