3-Bromo-4-methylbenzaldehyde - CAS 36276-24-1
Catalog: |
BB022927 |
Product Name: |
3-Bromo-4-methylbenzaldehyde |
CAS: |
36276-24-1 |
Synonyms: |
3-bromo-4-methylbenzaldehyde |
IUPAC Name: | 3-bromo-4-methylbenzaldehyde |
Description: | 3-Bromo-4-methylbenzaldehyde (CAS# 36276-24-1) is a useful research chemical. |
Molecular Weight: | 199.04 |
Molecular Formula: | C8H7BrO |
Canonical SMILES: | CC1=C(C=C(C=C1)C=O)Br |
InChI: | InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 |
InChI Key: | WTXXUAHMTVAQHW-UHFFFAOYSA-N |
Boiling Point: | 254.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.49 g/cm3 |
MDL: | MFCD04971197 |
LogP: | 2.57000 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111714628-A | Small molecule PD-1/PD-L1 inhibitor, pharmaceutical composition of small molecule PD-1/PD-L1 inhibitor and PD-L1 antibody and application of small molecule PD-1/PD-L1 inhibitor and pharmaceutical composition | 20190322 |
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WO-2020198053-A1 | 2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide derivatives and similar compounds as ripk2 inhibitors for treating e.g. autoimmune diseases | 20190322 |
US-2020340982-A1 | Photoaffinity probes | 20190320 |
WO-2020191339-A1 | Photoaffinity probes | 20190320 |
PMID | Publication Date | Title | Journal |
21201395 | 20080104 | (E)-1,2-Bis(3-bromo-4-methyl-phen-yl)ethene | Acta crystallographica. Section E, Structure reports online |
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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