2-Fluoropyrimidine - CAS 31575-35-6

Catalog:	BB020980
Product Name:	2-Fluoropyrimidine
CAS:	31575-35-6
Synonyms:	2-fluoropyrimidine; 2-fluoropyrimidine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-fluoropyrimidine
Description:	2-Fluoropyrimidine (CAS# 31575-35-6) is used as an efficient reagent in the presence of DIEA for the solid-phase synthesis of N-aryl and N-alkyl-2-pyrimidines.
Molecular Weight:	98.08
Molecular Formula:	C4H3FN2
Canonical SMILES:	C1=CN=C(N=C1)F
InChI:	InChI=1S/C4H3FN2/c5-4-6-2-1-3-7-4/h1-3H
InChI Key:	WAVYAFBQOXCGSZ-UHFFFAOYSA-N
Boiling Point:	197 °C at 760 mmHg
Density:	1.224 g/cm³
MDL:	MFCD08059530
LogP:	0.61570

Publication Number	Title	Priority Date
CN-112979502-A	Novel oxymethylisourea hydrogen sulfate and preparation method and application thereof	20210224
CN-113009014-A	High performance liquid detection method for 2-methoxy-5-fluorouracil impurity	20210224
CN-113116895-A	Quinoline derivatives for the treatment of neuroblastoma	20201231
CN-112259165-A	Method and system for detecting microsatellite instability state	20201208
CN-112259165-B	Method and system for detecting microsatellite instability state	20201208

PMID	Publication Date	Title	Journal
26787503	20160301	Human mass balance study of TAS-102 using (14)C analyzed by accelerator mass spectrometry	Cancer chemotherapy and pharmacology
23941782	20130812	Cadmium modifies the cell cycle and apoptotic profiles of human breast cancer cells treated with 5-fluorouracil	International journal of molecular sciences
22209842	20121201	Bevacizumab in combination with irinotecan, 5-fluorouracil, and leucovorin (FOLFIRI) in patients with metastatic colorectal cancer who were previously treated with oxaliplatin-containing regimens: a multicenter observational cohort study (TCTG 2nd-BV study)	Medical oncology (Northwood, London, England)
22424872	20121101	A multicenter phase II study of adjuvant chemotherapy with oral fluoropyrimidine S-1 for non-small-cell lung cancer: high completion and survival rates	Clinical lung cancer
22767582	20121101	VEGF remains an interesting target in advanced pancreas cancer (APCA): results of a multi-institutional phase II study of bevacizumab, gemcitabine, and infusional 5-fluorouracil in patients with APCA	Annals of oncology : official journal of the European Society for Medical Oncology

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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+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	51.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.02802627
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.02802627
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0