3-Nitro-4-methylphenylacetic Acid - CAS 54941-44-5

Catalog:	BB028867
Product Name:	3-Nitro-4-methylphenylacetic Acid
CAS:	54941-44-5
Synonyms:	2-(4-methyl-3-nitrophenyl)acetic acid; 2-(4-methyl-3-nitrophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-methyl-3-nitrophenyl)acetic acid
Description:	3-Nitro-4-methylphenylacetic Acid (CAS# 54941-44-5) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	CC1=C(C=C(C=C1)CC(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C9H9NO4/c1-6-2-3-7(5-9(11)12)4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	WZNKBDUWSKJHEG-UHFFFAOYSA-N
Boiling Point:	374.5 °C at 760 mmHg
Density:	1.346 g/cm³
MDL:	MFCD09832994
LogP:	2.05350

Publication Number	Title	Priority Date
WO-2017067839-A1	Microbiocidal phenylamidine derivatives	20151023
EP-2843473-A1	Toner	20130826
US-2016024098-A1	Hybrid necroptosis inhibitors	20130315
US-2013244165-A1	Toner	20120229
US-8940467-B2	Toner	20120229

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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6