3-Bromo-2-hydroxybenzaldehyde - CAS 1829-34-1
Catalog: |
BB014025 |
Product Name: |
3-Bromo-2-hydroxybenzaldehyde |
CAS: |
1829-34-1 |
Synonyms: |
3-bromo-2-hydroxybenzaldehyde |
IUPAC Name: | 3-bromo-2-hydroxybenzaldehyde |
Description: | 3-Bromo-2-hydroxybenzaldehyde (CAS# 1829-34-1) is a useful research chemical, a plant growth regulator. |
Molecular Weight: | 201.02 |
Molecular Formula: | C7H5BrO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)O)C=O |
InChI: | InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H |
InChI Key: | STBGLXMINLWCNL-UHFFFAOYSA-N |
Boiling Point: | 215.563 ℃ at 760 mmHg |
Melting Point: | 53-57 ℃ |
Purity: | 97 % |
Density: | 1.737 g/cm3 |
Appearance: | White/orange/tan solid |
MDL: | MFCD00016587 |
LogP: | 1.96720 |
GHS Hazard Statement: | H302 (97.5%): 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-112939916-A | Method for synthesizing coumarin-3-carboxylic acid compounds by one-pot two-step method | 20210317 |
CN-113024499-A | Green synthesis method of coumarin-3-carboxylic acid compounds | 20210317 |
CN-111518058-A | Oxathiazine compound and application thereof | 20200529 |
CN-111518058-B | Oxathiazine compound and application thereof | 20200529 |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
PMID | Publication Date | Title | Journal |
22904926 | 20120801 | 3-Bromo-2-hy-droxy-benzaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.94729 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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