3-Bromo-2-methylacrylonitrile, mixture of cis and trans - CAS 150163-13-6
Catalog: |
BB010494 |
Product Name: |
3-Bromo-2-methylacrylonitrile, mixture of cis and trans |
CAS: |
150163-13-6 |
Synonyms: |
3-bromo-2-methylprop-2-enenitrile |
IUPAC Name: | (E)-3-bromo-2-methylprop-2-enenitrile |
Description: | 3-Bromo-2-methylacrylonitrile, mixture of cis and trans (CAS# 150163-13-6 ) is a useful research chemical. |
Molecular Weight: | 145.99 |
Molecular Formula: | C4H4BrN |
Canonical SMILES: | CC(=CBr)C#N |
InChI: | InChI=1S/C4H4BrN/c1-4(2-5)3-6/h2H,1H3 |
InChI Key: | VAVDVRKEPBGVMB-UHFFFAOYSA-N |
Boiling Point: | 167 °C at 760 mmHg |
Density: | 1.544 g/cm3 |
MDL: | MFCD00010382 |
LogP: | 1.80868 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021163344-A1 | Novel prmt5 inhibitors | 20200212 |
AU-2018345748-A1 | Methods for inhibiting conversion of choline to trimethylamine (TMA) | 20171002 |
CA-3076232-A1 | Methods for inhibiting conversion of choline to trimethylamine (tma) | 20171002 |
CN-111163765-A | Methods for inhibiting the conversion of choline to Trimethylamine (TMA) | 20171002 |
EP-3522878-A1 | Methods for inhibiting conversion of choline to trimethylamine (tma) | 20171002 |
PMID | Publication Date | Title | Journal |
12608824 | 20030307 | Stereoselective synthesis of 1'-C-branched arabinofuranosyl nucleosides via anomeric radicals generated by 1,2-acyloxy migration | The Journal of organic chemistry |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.95271 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.95271 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.3 |
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