Methyl 4-(Chloromethyl)benzoate - CAS 34040-64-7
Catalog: |
BB021943 |
Product Name: |
Methyl 4-(Chloromethyl)benzoate |
CAS: |
34040-64-7 |
Synonyms: |
4-(chloromethyl)benzoic acid methyl ester; methyl 4-(chloromethyl)benzoate |
IUPAC Name: | methyl 4-(chloromethyl)benzoate |
Description: | Methyl 4-(Chloromethyl)benzoate (CAS# 34040-64-7) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)CCl |
InChI: | InChI=1S/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3 |
InChI Key: | SATDLKYRVXFXRE-UHFFFAOYSA-N |
Boiling Point: | 160 °C (30 torr) |
Density: | 1.19 g/cm3 |
MDL: | MFCD00511224 |
LogP: | 2.21200 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113292474-A | Fluorescent probe for simultaneously detecting mitochondrial membrane potential and quality through flow cytometer and synthetic method thereof | 20210525 |
CN-113372215-A | Novel esterification method for synthesizing p-halomethyl benzoate | 20210520 |
CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
CN-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
CN-111848467-A | Preparation method of asymmetric organic persulfate compound | 20200707 |
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: | 2.7 |
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