2-Methyl-3-nitrophenylacetic acid - CAS 23876-15-5
Catalog: |
BB018226 |
Product Name: |
2-Methyl-3-nitrophenylacetic acid |
CAS: |
23876-15-5 |
Synonyms: |
2-(2-methyl-3-nitrophenyl)acetic acid |
IUPAC Name: | 2-(2-methyl-3-nitrophenyl)acetic acid |
Description: | 2-Methyl-3-nitrophenylacetic acid (CAS# 23876-15-5) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C9H9NO4/c1-6-7(5-9(11)12)3-2-4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | LWIOFILTAJJDLA-UHFFFAOYSA-N |
Boiling Point: | 377.6 ℃ at 760 mmHg |
Melting Point: | 133-135 ℃ |
Purity: | 98 % |
Density: | 1.346 g/cm3 |
Appearance: | Off-white to beige powder |
MDL: | MFCD07782132 |
LogP: | 2.05350 |
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 |
Publication Number | Title | Priority Date |
CN-109810001-A | The synthetic method of ropinirole hydrochloride intermediate 2- methyl-3-nitrophenylacetic acid | 20190122 |
CN-108126656-A | For the modified activated carbon absorbent of benzene in Adsorption wastewater from chemical industry | 20171225 |
CN-110621660-A | Purification method of ropinirole hydrochloride | 20170616 |
EP-3640240-A1 | Method for purifying ropinirole hydrochloride | 20170616 |
US-2020172482-A1 | Method for purifying ropinirole hydrochloride | 20170616 |
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: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS