4-Bromo-3-methylbenzyl Bromide - CAS 27561-51-9
Catalog: |
BB019609 |
Product Name: |
4-Bromo-3-methylbenzyl Bromide |
CAS: |
27561-51-9 |
Synonyms: |
1-bromo-4-(bromomethyl)-2-methylbenzene; 1-bromo-4-(bromomethyl)-2-methylbenzene |
IUPAC Name: | 1-bromo-4-(bromomethyl)-2-methylbenzene |
Description: | 4-Bromo-3-methylbenzyl Bromide (CAS# 27561-51-9) is a useful research chemical. |
Molecular Weight: | 263.96 |
Molecular Formula: | C8H8Br2 |
Canonical SMILES: | CC1=C(C=CC(=C1)CBr)Br |
InChI: | InChI=1S/C8H8Br2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5H2,1H3 |
InChI Key: | CWOKZNRRLJXSAA-UHFFFAOYSA-N |
Boiling Point: | 275.436 °C at 760 mmHg |
Density: | 1.744 g/cm3 |
Appearance: | Pale yellow to yellow brown liquid |
LogP: | 3.65240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021053967-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2021030438-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2020206424-A1 | Stat degraders and uses thereof | 20190405 |
WO-2020095912-A1 | Benzimidazole derivative | 20181106 |
TW-202031644-A | Benzimidazole derivative | 20181106 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.89723 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.89928 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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