4-(Chloromethyl)benzoic acid - CAS 1642-81-5
Catalog: |
BB012088 |
Product Name: |
4-(Chloromethyl)benzoic acid |
CAS: |
1642-81-5 |
Synonyms: |
4-(chloromethyl)benzoic acid |
IUPAC Name: | 4-(chloromethyl)benzoic acid |
Description: | 4-(Chloromethyl)benzoic Acid has been used in the synthesis of dihydroxy stilbene derivatives. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | C1=CC(=CC=C1CCl)C(=O)O |
InChI: | InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | OITNBJHJJGMFBN-UHFFFAOYSA-N |
Melting Point: | 201-202 °C(lit.) |
Purity: | 98 % |
Density: | 1.315 g/cm3 |
Appearance: | White to slightly yellow crystalline powder |
Storage: | 2-8°C |
MDL: | MFCD00002568 |
LogP: | 2.12360 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113292498-A | 3-peroxybenzoic acid-1-methylimidazole chloride salt and preparation and application thereof | 20210616 |
CN-113372215-A | Novel esterification method for synthesizing p-halomethyl benzoate | 20210520 |
CN-113024741-A | High and low temperature resistant resin composition for preparing oil tank | 20210316 |
CN-112979546-A | Butyrylcholine esterase selective inhibitor and preparation method and application thereof | 20210225 |
CN-112694434-A | New lefenacin intermediate, active electrophilic building block thereof and new preparation method of lefenacin | 20201229 |
PMID | Publication Date | Title | Journal |
17596944 | 20070815 | Design, synthesis, and discovery of stilbene derivatives based on lithospermic acid B as potent protein tyrosine phosphatase 1B inhibitors | Bioorganic & medicinal chemistry letters |
15877154 | 20050521 | The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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