4-(1,2,4-Triazol-1-yl)benzoic Acid - CAS 162848-16-0

Name: 4-(1,2,4-Triazol-1-yl)benzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011913
Product Name:	4-(1,2,4-Triazol-1-yl)benzoic Acid
CAS:	162848-16-0
Synonyms:	4-(1,2,4-triazol-1-yl)benzoic acid; 4-(1,2,4-triazol-1-yl)benzoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-(1,2,4-triazol-1-yl)benzoic acid
Description:	4-(1,2,4-Triazol-1-yl)benzoic Acid (CAS# 162848-16-0) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C9H7N3O2
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)N2C=NC=N2
InChI:	InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)
InChI Key:	FOMQQGKCPYKKHQ-UHFFFAOYSA-N
Boiling Point:	424.1 °C at 760 mmHg
Density:	1.39 g/cm³
Appearance:	Beige solid
MDL:	MFCD02682060
LogP:	0.96550

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3854471-A1	Improvements relating to water purification	20200123
CN-110983361-A	Tantalum nitride carbon nano film integrated electrode for limited-area growth of cobalt nanoparticles and preparation method and application thereof	20191216
CN-110983361-B	Tantalum nitride carbon nano film integrated electrode for limited-area growth of cobalt nanoparticles and preparation method and application thereof	20191216
US-2020102311-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065614-A1	Monoacylglycerol lipase modulators	20180928

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.053826475
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.053826475
Rotatable Bond Count:	2
Topological Polar Surface Area:	68 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2