3-(2-Iodophenyl)propionic acid - CAS 96606-95-0
Catalog: |
BB041994 |
Product Name: |
3-(2-Iodophenyl)propionic acid |
CAS: |
96606-95-0 |
Synonyms: |
3-(2-iodophenyl)propanoic acid |
IUPAC Name: | 3-(2-iodophenyl)propanoic acid |
Description: | 3-(2-Iodophenyl)propionic acid (CAS# 96606-95-0 ) is a useful research chemical. |
Molecular Weight: | 276.07 |
Molecular Formula: | C9H9IO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CCC(=O)O)I |
InChI: | InChI=1S/C9H9IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
InChI Key: | POJTZKMVSQVKNR-UHFFFAOYSA-N |
Boiling Point: | 354.4 °C at 760 mmHg |
Density: | 1.775 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00040789 |
LogP: | 2.30840 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
WO-2020130080-A1 | Method for producing p-quinones | 20181221 |
EP-3474903-A1 | Double targeted constructs to affect tumor kill | 20160623 |
WO-2017223357-A1 | Double targeted constructs to affect tumor kill | 20160623 |
WO-2012168458-A1 | Zwitterionic compounds useful as catalysts for esterification reactions and processes for their production | 20110610 |
PMID | Publication Date | Title | Journal |
22927359 | 20120917 | Total synthesis of indole-derived allocolchicine analogues exhibiting strong apoptosis-inducing activity | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.96473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.96473 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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