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1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde - CAS 890626-54-7

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

Catalog:	BB039335
Product Name:	1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS:	890626-54-7
Synonyms:	1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
Description:	1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde (CAS# 890626-54-7) is a useful research chemical.
Molecular Weight:	218.23
Molecular Formula:	C12H11FN2O
Canonical SMILES:	CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=O
InChI:	InChI=1S/C12H11FN2O/c1-8-12(7-16)9(2)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChI Key:	AXOXHQSHPSKAID-UHFFFAOYSA-N
Boiling Point:	335 °C at 760 mmHg
Purity:	95 %
Density:	1.19 g/cm³
MDL:	MFCD06655672
LogP:	2.44070

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[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-H089599-B2	Process for producing pyrazole carboxylic acids	19880802
JP-H089600-B2	Process for producing pyrazole carboxylic acids	19880802

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.08554114
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.08554114
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5