5-Bromo-2-methylbenzoic acid - CAS 79669-49-1
Catalog: |
BB036392 |
Product Name: |
5-Bromo-2-methylbenzoic acid |
CAS: |
79669-49-1 |
Synonyms: |
5-bromo-2-methylbenzoic acid |
IUPAC Name: | 5-bromo-2-methylbenzoic acid |
Description: | 5-Bromo-2-methylbenzoic acid (CAS# 79669-49-1) is a useful research chemical. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)Br)C(=O)O |
InChI: | InChI=1S/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | SEENCYZQHCUTSB-UHFFFAOYSA-N |
Boiling Point: | 319.4 ℃ at 760 mmHg |
Melting Point: | 170 ℃ |
Purity: | 95 % |
Density: | 1.599 g/cm3 |
Appearance: | White or reddish powder |
MDL: | MFCD00267350 |
LogP: | 2.45570 |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149828-A | Preparation method of 5-bromo-2-methylbenzoic acid | 20210331 |
CN-113248482-A | Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof | 20200210 |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
CN-112441907-A | Method for co-producing mono-substituted methyl benzoic acid and mono-substituted phthalic acid | 20190830 |
WO-2021002473-A1 | Nrf2-activating compound | 20190703 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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