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2-[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

2-[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid - CAS 1823464-54-5

Catalog:	BB050655
Product Name:	2-[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CAS:	1823464-54-5
Synonyms:	[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid; 1H-Pyrazole-1-acetic acid, 4-methyl-3-(trifluoromethyl)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Molecular Weight:	208.14
Molecular Formula:	C7H7F3N2O2
Canonical SMILES:	CC1=CN(N=C1C(F)(F)F)CC(=O)O
InChI:	InChI=1S/C7H7F3N2O2/c1-4-2-12(3-5(13)14)11-6(4)7(8,9)10/h2H,3H2,1H3,(H,13,14)
InChI Key:	URYBQPIPDBWRIK-UHFFFAOYSA-N
Boiling Point:	299.9±40.0°C (Predicted)
Purity:	≥95%
Density:	1.48±0.1 g/cm3 (Predicted)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.04596196
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.04596196
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2