4-(Chloromethyl)phenyl acetate - CAS 39720-27-9
Catalog: |
BB024101 |
Product Name: |
4-(Chloromethyl)phenyl acetate |
CAS: |
39720-27-9 |
Synonyms: |
[4-(chloromethyl)phenyl] acetate |
IUPAC Name: | [4-(chloromethyl)phenyl] acetate |
Description: | 4-(Chloromethyl)phenyl acetate (CAS# 39720-27-9 ) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CC(=O)OC1=CC=C(C=C1)CCl |
InChI: | InChI=1S/C9H9ClO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3 |
InChI Key: | OKRCXSCDWKJWSW-UHFFFAOYSA-N |
Boiling Point: | 270.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.201 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00209564 |
LogP: | 2.35070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021183707-A2 | Fungicidal halomethyl ketones and hydrates and their mixtures | 20200311 |
CN-110885326-A | High water-solubility phenyl acetate compound and carboxylesterase detection kit containing same | 20191118 |
WO-2020056090-A1 | Fungicidal halomethyl ketones and hydrates | 20180914 |
TW-202024029-A | Fungicidal halomethyl ketones and hydrates | 20180914 |
CN-113015433-A | Fungicidal halomethyl ketones and hydrates | 20180914 |
PMID | Publication Date | Title | Journal |
22701797 | 20120101 | Paraoxonase 1 Phenotype and Mass in South Asian versus Caucasian Renal Transplant Recipients | Journal of lipids |
17828718 | 20071105 | Facile synthesis and palladium-catalyzed cross-coupling reactions of 2,3-bis(pinacolatoboryl)-1,3-butadiene | Chemistry, an Asian journal |
17441704 | 20070517 | Chemical insights in the concept of hybrid drugs: the antitumor effect of nitric oxide-donating aspirin involves a quinone methide but not nitric oxide nor aspirin | Journal of medicinal chemistry |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS