3-Methyl-4-nitrobenzyl bromide - CAS 141281-38-1
Catalog: |
BB009164 |
Product Name: |
3-Methyl-4-nitrobenzyl bromide |
CAS: |
141281-38-1 |
Synonyms: |
4-(bromomethyl)-2-methyl-1-nitrobenzene |
IUPAC Name: | 4-(bromomethyl)-2-methyl-1-nitrobenzene |
Description: | 3-Methyl-4-nitrobenzyl bromide (CAS# 141281-38-1) is a useful research chemical compound. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)CBr)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8BrNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3 |
InChI Key: | WOUWGCLQOJPWHS-UHFFFAOYSA-N |
Boiling Point: | 310.7 °C at 760 mmHg |
Density: | 1.564 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD04039920 |
LogP: | 3.32130 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210061202-A | Benzonitrile-substituted Fused pyrimidine derivatives and their pharmaceutical use | 20191119 |
WO-2021099832-A2 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021099838-A1 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021080013-A1 | Inhibitors of trek (twik related k+ channels) channel function | 20191024 |
WO-2019191502-A1 | Compounds for treatment of cardiac arrhythmias and heart failure | 20180329 |
PMID | Publication Date | Title | Journal |
21522706 | 20101224 | 2-Methyl-5-[(3-methyl-4-nitro-benz-yl)sulfan-yl]-1,3,4-thia-diazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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