2,4-Difluoro-3-methylbenzoic Acid - CAS 112857-68-8

Catalog:	BB003061
Product Name:	2,4-Difluoro-3-methylbenzoic Acid
CAS:	112857-68-8
Synonyms:	2,4-difluoro-3-methylbenzoic acid; 2,4-difluoro-3-methylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4-difluoro-3-methylbenzoic acid
Description:	2,4-Difluoro-3-methylbenzoic Acid (CAS# 112857-68-8) is a useful research chemical.
Molecular Weight:	172.13
Molecular Formula:	C8H6F2O2
Canonical SMILES:	CC1=C(C=CC(=C1F)C(=O)O)F
InChI:	InChI=1S/C8H6F2O2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:	OCJDCFUHHBCTFI-UHFFFAOYSA-N
Boiling Point:	253.1 °C at 760 mmHg
Density:	1.359 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD03265223
LogP:	1.97140

Publication Number	Title	Priority Date
AU-2018288018-A1	Small molecule modulators of human sting	20170622
CA-3067257-A1	Small molecule modulators of human sting	20170622
CN-111132972-A	Small molecule modulators of human STING	20170622
EP-3642198-A1	Small molecule modulators of human sting	20170622
KR-20200031616-A	Small molecule regulator of human sting	20170622

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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[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

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03358575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.03358575
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2