Methyl 2-Bromo-5-chlorobenzoate - CAS 27007-53-0
Catalog: |
BB019438 |
Product Name: |
Methyl 2-Bromo-5-chlorobenzoate |
CAS: |
27007-53-0 |
Synonyms: |
2-bromo-5-chlorobenzoic acid methyl ester; methyl 2-bromo-5-chlorobenzoate |
IUPAC Name: | methyl 2-bromo-5-chlorobenzoate |
Description: | Methyl 2-Bromo-5-chlorobenzoate (CAS# 27007-53-0) is a useful research chemical. |
Molecular Weight: | 249.49 |
Molecular Formula: | C8H6BrClO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)Cl)Br |
InChI: | InChI=1S/C8H6BrClO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3 |
InChI Key: | BIECSXCXIXHDBC-UHFFFAOYSA-N |
Boiling Point: | 278.4 °C at 760 mmHg |
Density: | 1.604 g/cm3 |
MDL: | MFCD00144763 |
LogP: | 2.88910 |
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-113121584-A | Heterocyclic compound and organic electroluminescent device comprising same | 20210330 |
CN-112552291-A | Organic electroluminescent material and organic electroluminescent device thereof | 20201214 |
CN-112159326-A | Compound, luminescent layer dye material and organic electroluminescent device | 20200921 |
CN-112125873-A | Compound, hole transport material, organic electroluminescent device and display device | 20200908 |
CN-111635392-A | Compound, hole transport material and organic electroluminescent device | 20200604 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.92397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.92397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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