2-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid - CAS 321309-43-7

Catalog:	BB021187
Product Name:	2-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid
CAS:	321309-43-7
Synonyms:	2-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid; 2-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid
Description:	2-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid (CAS# 321309-43-7) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	CC1=C(C(=NN1)C)C2=CC=CC=C2C(=O)O
InChI:	InChI=1S/C12H12N2O2/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChI Key:	JNHKHFADRGJMJS-UHFFFAOYSA-N
Boiling Point:	391.2 °C at 760 mmHg
Density:	1.262 g/cm³
Appearance:	Solid
LogP:	2.39170

Publication Number	Title	Priority Date
US-2017166661-A1	Host-guest metal organic framework systems	20140703
US-10947321-B2	Host-guest metal organic framework systems	20140703
CN-102775430-A	Coordination polymer porous material MAF-X8 and preparing method and application thereof	20120829
CN-102775430-B	Coordination polymer porous material MAF-X8 and preparing method and application thereof	20120829
EP-2595989-B1	Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels	20100506

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[55441-25-3]
1-(2-Cyanophenyl)urea
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.089877630
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.089877630
Rotatable Bond Count:	2
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2