4-Bromo-3-methylbenzoic acid - CAS 7697-28-1
Catalog: |
BB035771 |
Product Name: |
4-Bromo-3-methylbenzoic acid |
CAS: |
7697-28-1 |
Synonyms: |
4-bromo-3-methylbenzoic acid |
IUPAC Name: | 4-bromo-3-methylbenzoic acid |
Description: | 4-Bromo-3-methylbenzoic acid (CAS# 7697-28-1) is a useful research chemical. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)Br |
InChI: | InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | KWVXDZLVCISXIB-UHFFFAOYSA-N |
Boiling Point: | 311.4 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.599 g/cm3 |
MDL: | MFCD00039526 |
LogP: | 2.45570 |
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-112552252-A | Preparation method of flurarana intermediate | 20200930 |
WO-2021157684-A1 | Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof | 20200206 |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
CN-112441907-A | Method for co-producing mono-substituted methyl benzoic acid and mono-substituted phthalic acid | 20190830 |
CN-109970551-A | A kind of preparation method of neighbour's methyl aryl formic acid derivates | 20190415 |
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: | 3.1 |
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