5-Iodo-2-methylbenzoic Acid - CAS 54811-38-0
Catalog: |
BB028824 |
Product Name: |
5-Iodo-2-methylbenzoic Acid |
CAS: |
54811-38-0 |
Synonyms: |
5-iodo-2-methylbenzoic acid; 5-iodo-2-methylbenzoic acid |
IUPAC Name: | 5-iodo-2-methylbenzoic acid |
Description: | 5-Iodo-2-methylbenzoic Acid (CAS# 54811-38-0) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)I)C(=O)O |
InChI: | InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | WUBHOZQZSHGUFI-UHFFFAOYSA-N |
Boiling Point: | 339.6 °C at 760 mmHg |
Density: | 1.867 g/cm3 |
MDL: | MFCD01570258 |
LogP: | 2.29780 |
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-213000621-U | 5-iodine-2-methyl benzoic acid centrifugal device | 20200728 |
CN-213020600-U | 5-iodine-2-methyl benzoic acid drying device | 20200728 |
CN-110845469-A | Preparation method of canagliflozin intermediate | 20191211 |
CN-210906154-U | Reaction unit is used in production of 5-iodine-2-methyl benzoic acid | 20191008 |
CN-112209908-A | Glucopyranosyl derivative and use thereof | 20190710 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS