2-Bromo-1-phenylpropane - CAS 2114-39-8
Catalog: |
BB016647 |
Product Name: |
2-Bromo-1-phenylpropane |
CAS: |
2114-39-8 |
Synonyms: |
2-bromopropylbenzene |
IUPAC Name: | 2-bromopropylbenzene |
Description: | 2-Bromo-1-phenylpropane (CAS# 2114-39-8) is a useful research chemical. |
Molecular Weight: | 199.09 |
Molecular Formula: | C9H11Br |
Canonical SMILES: | CC(CC1=CC=CC=C1)Br |
InChI: | InChI=1S/C9H11Br/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
InChI Key: | NVYOCAOZCSNIHR-UHFFFAOYSA-N |
Boiling Point: | 228 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.291 g/mL at 25 °C (lit.) |
Appearance: | Clear colorless to light brown liquid |
MDL: | MFCD00000149 |
LogP: | 3.01250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021138314-A1 | Compounds and compositions for treating cns disorders | 20200103 |
AU-2019243133-A1 | Novel compound and pharmaceutical composition for preventing or treating obesity or metabolic syndrome comprising same | 20180326 |
CN-112105598-A | Novel compound for preventing or treating obesity or metabolic syndrome and pharmaceutical composition comprising the same | 20180326 |
AU-2019243133-B2 | Novel compound and pharmaceutical composition for preventing or treating obesity or metabolic syndrome comprising same | 20180326 |
EP-3778555-A1 | Novel compound and pharmaceutical composition for preventing or treating obesity or metabolic syndrome comprising same | 20180326 |
Complexity: | 84.7 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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