(3-Methyl-1H-pyrazol-1-yl)acetic acid - CAS 180741-30-4

Catalog:	BB046995
Product Name:	(3-Methyl-1H-pyrazol-1-yl)acetic acid
CAS:	180741-30-4
Synonyms:	(3-Methyl-pyrazol-1-yl)-acetic acid; 1H-Pyrazole-1-acetic acid, 3-methyl-; (3-methylpyrazol-1-yl)acetic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(3-methylpyrazol-1-yl)acetic acid
Description:	(3-Methyl-1H-pyrazol-1-yl)acetic acid (CAS# 180741-30-4 ) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CC1=NN(C=C1)CC(=O)O
InChI:	InChI=1S/C6H8N2O2/c1-5-2-3-8(7-5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChI Key:	JZWDFOAFMVOQKR-UHFFFAOYSA-N
Boiling Point:	302.5 °C at 760 mmHg
Purity:	95 %
Density:	1.27 g/cm³

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[4313-03-5]
2,4-Heptadienal

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[5071-96-5]
3-Methoxybenzylamine

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (95%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3