2-Bromoethyl benzoate - CAS 939-54-8
Catalog: |
BB041138 |
Product Name: |
2-Bromoethyl benzoate |
CAS: |
939-54-8 |
Synonyms: |
2-bromoethyl benzoate |
IUPAC Name: | 2-bromoethyl benzoate |
Description: | 2-Bromoethyl benzoate (CAS# 939-54-8) is a useful research chemical. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OCCBr |
InChI: | InChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | KNBBDZULQFKSIE-UHFFFAOYSA-N |
Boiling Point: | 157-159 °C (20 mmHg) |
Purity: | 99 % |
Density: | 1.445 g/cm3 |
MDL: | MFCD00059462 |
LogP: | 2.23830 |
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 |
WO-2021177438-A1 | Antibody-drug conjugate including novel cyclic dinucleotide derivative | 20200306 |
CN-112812113-A | Immunomodulatory compounds, compositions and uses thereof | 20191115 |
WO-2021093817-A1 | Immunomodulatory compounds, composition and application thereof | 20191115 |
CN-112625502-A | Ink composition, quantum dot-polymer composite, display device, and method of manufacturing | 20191008 |
CN-109970527-A | A kind of continuous preparation method of arylprop aldehyde compound | 20190505 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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