3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde - CAS 306936-57-2

Name: 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020682
Product Name:	3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
CAS:	306936-57-2
Synonyms:	5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

Technical Data

IUPAC Name:	5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Description:	3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde (CAS# 306936-57-2) is a useful research chemical compound.
Molecular Weight:	190.17
Molecular Formula:	C10H7FN2O
Canonical SMILES:	C1=CC(=CC=C1C2=C(C=NN2)C=O)F
InChI:	InChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChI Key:	CMXTUUXWJBLVEH-UHFFFAOYSA-N
Boiling Point:	416 °C at 760 mmHg
Melting Point:	160 °C
Purity:	95 %
Density:	1.337 g/cm³
Appearance:	White to tan solid, powder, crystals, crystalline powder and/or chunks
MDL:	MFCD01922131
LogP:	2.02830

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2014260433-A1	Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof	20130314
EP-2970137-A1	Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof	20130314
JP-2016514164-A	Pyrazole derivatives and their use as arginine methyltransferase inhibitors	20130314
US-2014323537-A1	Arginine methyltransferase inhibitors and uses thereof	20130314
US-2016137609-A1	Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof	20130314

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.05424101
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.05424101
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4