2,3-Dimethylbenzyl Bromide - CAS 81093-21-2
Catalog: |
BB036604 |
Product Name: |
2,3-Dimethylbenzyl Bromide |
CAS: |
81093-21-2 |
Synonyms: |
1-(bromomethyl)-2,3-dimethylbenzene; 1-(bromomethyl)-2,3-dimethylbenzene |
IUPAC Name: | 1-(bromomethyl)-2,3-dimethylbenzene |
Description: | 2,3-Dimethylbenzyl Bromide (CAS# 81093-21-2) is a useful research chemical. |
Molecular Weight: | 199.09 |
Molecular Formula: | C9H11Br |
Canonical SMILES: | CC1=C(C(=CC=C1)CBr)C |
InChI: | InChI=1S/C9H11Br/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3 |
InChI Key: | UFYRPPWFKLXRQV-UHFFFAOYSA-N |
Boiling Point: | 240 °C |
Density: | 1.314 g/cm3 |
MDL: | MFCD03844741 |
LogP: | 3.19830 |
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 |
CN-109422749-A | A kind of pyrimidinedione derivative inhibiting monocarboxylate transporter | 20170821 |
AU-2016315360-A1 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150902 |
EA-033679-B1 | Pyridinone dicarboxamides for use as bromodomain inhibitors | 20150902 |
US-10428026-B2 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150902 |
US-2018258044-A1 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150902 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.00441 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.00441 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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