3-Methylphenethyl bromide - CAS 16799-08-9
Catalog: |
BB012444 |
Product Name: |
3-Methylphenethyl bromide |
CAS: |
16799-08-9 |
Synonyms: |
1-(2-bromoethyl)-3-methylbenzene |
IUPAC Name: | 1-(2-bromoethyl)-3-methylbenzene |
Description: | 3-Methylphenethyl bromide (CAS# 16799-08-9 ) is a useful research chemical. |
Molecular Weight: | 199.09 |
Molecular Formula: | C9H11Br |
Canonical SMILES: | CC1=CC(=CC=C1)CCBr |
InChI: | InChI=1S/C9H11Br/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3 |
InChI Key: | STQJFINZGUXVEX-UHFFFAOYSA-N |
Boiling Point: | 101-103 °C / 11 mmHg |
Density: | 1.307 g/mL at 25 °C |
MDL: | MFCD04117468 |
LogP: | 2.93240 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021100658-A1 | Compound, mixture, curable resin composition and cured product thereof, and compound production method | 20191119 |
WO-2020084131-A1 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
AU-2019365119-B2 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
EP-3870591-A1 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
KR-20210079336-A | Aminopeptidase A inhibitor and pharmaceutical composition comprising same | 20181026 |
Complexity: | 90.7 |
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: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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