Methyl 3-Bromo-5-(bromomethyl)benzoate - CAS 877624-40-3
Catalog: |
BB038625 |
Product Name: |
Methyl 3-Bromo-5-(bromomethyl)benzoate |
CAS: |
877624-40-3 |
Synonyms: |
3-bromo-5-(bromomethyl)benzoic acid methyl ester; methyl 3-bromo-5-(bromomethyl)benzoate |
IUPAC Name: | methyl 3-bromo-5-(bromomethyl)benzoate |
Description: | Methyl 3-Bromo-5-(bromomethyl)benzoate (CAS# 877624-40-3) is a useful research chemical. |
Molecular Weight: | 307.97 |
Molecular Formula: | C9H8Br2O2 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)Br)CBr |
InChI: | InChI=1S/C9H8Br2O2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,5H2,1H3 |
InChI Key: | CUDWOTQCLYYWOC-UHFFFAOYSA-N |
MDL: | MFCD11044991 |
LogP: | 3.13060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020198537-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
US-2021032213-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
WO-2020014469-A1 | Compositions and methods for the treatment of bacterial infectons | 20180711 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.88706 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.8891 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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