Benzotriazole-5-carboxylic Acid - CAS 23814-12-2

Catalog:	BB018199
Product Name:	Benzotriazole-5-carboxylic Acid
CAS:	23814-12-2
Synonyms:	2H-benzotriazole-5-carboxylic acid; 2H-benzotriazole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	2H-benzotriazole-5-carboxylic acid
Description:	Benzotriazole-5-carboxylic Acid (CAS# 23814-12-2) is a useful research chemical.
Molecular Weight:	163.13
Molecular Formula:	C7H5N3O2
Canonical SMILES:	C1=CC2=NNN=C2C=C1C(=O)O
InChI:	InChI=1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:	GUOVBFFLXKJFEE-UHFFFAOYSA-N
Boiling Point:	455.9 °C / 760 mmHg
Density:	1.617 g/cm³
Storage:	Inert atmosphere. Room temperature.
MDL:	MFCD00012318
LogP:	0.65610

Publication Number	Title	Priority Date
CN-113270589-A	Lithium ion battery, bipolar current collector and manufacturing method thereof	20210525
CN-113201389-A	Modified lubricating oil and preparation method thereof	20210513
CN-113215628-A	Electroplating solution and application thereof	20210506
CN-112940279-A	Layered column type zinc-based metal-organic framework material and preparation method thereof	20210412
CN-113089044-A	Plastic shell metallization electroplating method and wear-resistant plastic	20210407

PMID	Publication Date	Title	Journal
22424148	20120412	Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase	Journal of medicinal chemistry
22141338	20120102	Mn(II)-based porous metal-organic framework showing metamagnetic properties and high hydrogen adsorption at low pressure	Inorganic chemistry
21981066	20111107	Solvent induced diverse dimensional coordination assemblies of cupric benzotriazole-5-carboxylate: syntheses, crystal structures, and magnetic properties	Inorganic chemistry
20921604	20101001	A two-dimensional Zn(II) coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene	Acta crystallographica. Section C, Crystal structure communications
20380810	20100430	Evidence for constitutive dimerization of niacin receptor subtypes	Biochemical and biophysical research communications

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (27.85%): 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, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.038176411
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	163.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5