3-Bromo-5-methylbenzaldehyde - CAS 188813-04-9
Catalog: |
BB014552 |
Product Name: |
3-Bromo-5-methylbenzaldehyde |
CAS: |
188813-04-9 |
Synonyms: |
3-bromo-5-methylbenzaldehyde; 3-bromo-5-methylbenzaldehyde |
IUPAC Name: | 3-bromo-5-methylbenzaldehyde |
Description: | 3-Bromo-5-methylbenzaldehyde (CAS# 188813-04-9) is a useful research chemical. |
Molecular Weight: | 199.04 |
Molecular Formula: | C8H7BrO |
Canonical SMILES: | CC1=CC(=CC(=C1)C=O)Br |
InChI: | InChI=1S/C8H7BrO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3 |
InChI Key: | DMSLPBFUZSQMQT-UHFFFAOYSA-N |
Boiling Point: | 255.59 ℃ at 760 mmHg |
Density: | 1.49 g/cm3 |
LogP: | 2.57000 |
GHS Hazard Statement: | H302 (100%): 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-110963886-A | Method for preparing aromatic alcohol by photocatalytic aromatic aldehyde conversion | 20191112 |
WO-2021059287-A1 | Light induced catalytic c-h oxygenation of alkanes | 20190926 |
WO-2020095215-A1 | Chemical compounds | 20181108 |
TW-202039479-A | Chemical compounds | 20181108 |
CN-112969698-A | Chemical compound | 20181108 |
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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