4-Chlorobutyl benzoate - CAS 946-02-1
Catalog: |
BB041428 |
Product Name: |
4-Chlorobutyl benzoate |
CAS: |
946-02-1 |
Synonyms: |
4-chlorobutyl benzoate |
IUPAC Name: | 4-chlorobutyl benzoate |
Description: | 4-Chlorobutyl benzoate (CAS# 946-02-1) is a useful research chemical. |
Molecular Weight: | 212.67 |
Molecular Formula: | C11H13ClO2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OCCCCCl |
InChI: | InChI=1S/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 |
InChI Key: | XFFQVVCNZAYQSJ-UHFFFAOYSA-N |
Boiling Point: | 304.4 °C at 760 mmHg |
Density: | 1.129 g/cm3 |
MDL: | MFCD00019005 |
LogP: | 2.86240 |
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-111410600-A | Preparation method of p-phenylbutoxy benzoic acid | 20200121 |
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Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0604073 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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