Ethyl 2-bromocaprylate - CAS 5445-29-4
Catalog: |
BB028670 |
Product Name: |
Ethyl 2-bromocaprylate |
CAS: |
5445-29-4 |
Synonyms: |
ethyl 2-bromooctanoate |
IUPAC Name: | ethyl 2-bromooctanoate |
Description: | Ethyl 2-bromocaprylate (CAS# 5445-29-4) is a useful research chemical. |
Molecular Weight: | 251.16 |
Molecular Formula: | C10H19BrO2 |
Canonical SMILES: | CCCCCCC(C(=O)OCC)Br |
InChI: | InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3 |
InChI Key: | JIQJOKSCSVMZAN-UHFFFAOYSA-N |
Boiling Point: | 137 °C (25 torr) |
Density: | 1.167 g/cm3 |
Appearance: | Liquid |
LogP: | 3.28340 |
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-112028741-A | Electrolyte for ultrahigh-voltage aluminum electrolytic capacitor and preparation method and application thereof | 20200927 |
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CN-110042234-B | Extracting agent and preparation method and application thereof | 20190129 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.05684 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.05684 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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