2-(4-Iodo-1H-pyrazol-1-yl)propanoic acid - CAS 1217862-25-3

Catalog:	BB052071
Product Name:	2-(4-Iodo-1H-pyrazol-1-yl)propanoic acid
CAS:	1217862-25-3
Synonyms:	2-(4-iodopyrazolyl)propanoic acid; 1H-pyrazole-1-acetic acid, 4-iodo-alpha-methyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(4-iodopyrazol-1-yl)propanoic acid
Molecular Weight:	266.04
Molecular Formula:	C6H7IN2O2
Canonical SMILES:	CC(C(=O)O)N1C=C(C=N1)I
InChI:	InChI=1S/C6H7IN2O2/c1-4(6(10)11)9-3-5(7)2-8-9/h2-4H,1H3,(H,10,11)
InChI Key:	VPXFCAUGPKPCFF-UHFFFAOYSA-N
Boiling Point:	369.4±22.0 °C at 760 mmHg
Density:	2.1±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Halides

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[4860-03-1]
1-Chlorohexadecane
[452-76-6]
2,4-Difluorotoluene
[393841-81-1]
2'-Bromo-2,7-DI-tert-butyl-9,9'-spirobi[fluorene]
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.95523
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.95523
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1