2-Bromo-4-methylbenzaldehyde - CAS 824-54-4
Catalog: |
BB036834 |
Product Name: |
2-Bromo-4-methylbenzaldehyde |
CAS: |
824-54-4 |
Synonyms: |
2-bromo-4-methylbenzaldehyde |
IUPAC Name: | 2-bromo-4-methylbenzaldehyde |
Description: | 2-Bromo-4-methylbenzaldehyde (CAS# 824-54-4) is a useful intermediate for organic synthesis. |
Molecular Weight: | 199.04 |
Molecular Formula: | C8H7BrO |
Canonical SMILES: | CC1=CC(=C(C=C1)C=O)Br |
InChI: | InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3 |
InChI Key: | MUZMDYCVUCMIDC-UHFFFAOYSA-N |
Boiling Point: | 254.1 ℃ at 760 mmHg |
Melting Point: | 30-35 ℃ |
Purity: | 98 % |
Density: | 1.49 g/cm3 |
Appearance: | Colourless liquid |
MDL: | MFCD04039890 |
LogP: | 2.57000 |
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 |
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Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.96803 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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