1-Bromo-3,5-di-tert-butylbenzene - CAS 22385-77-9
Catalog: |
BB017573 |
Product Name: |
1-Bromo-3,5-di-tert-butylbenzene |
CAS: |
22385-77-9 |
Synonyms: |
1-bromo-3,5-ditert-butylbenzene |
IUPAC Name: | 1-bromo-3,5-ditert-butylbenzene |
Description: | 1-Bromo-3,5-di-tert-butylbenzene (CAS# 22385-77-9) is a useful research chemical. |
Molecular Weight: | 269.22 |
Molecular Formula: | C14H21Br |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1)Br)C(C)(C)C |
InChI: | InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3 |
InChI Key: | BUOWTUULDKULFI-UHFFFAOYSA-N |
Boiling Point: | 251 ℃ at 760 mmHg |
Melting Point: | 62-66 ℃ |
Purity: | 95 % |
Density: | 1.126 g/cm3 |
MDL: | MFCD00796945 |
LogP: | 5.04410 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, 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 |
CN-113150031-A | Oxaspiro chiral phosphoric acid and preparation method and application thereof | 20210422 |
CN-112321639-A | Preparation method of aryl diphenylphosphine derivative | 20201110 |
CN-111943977-A | Bimetallic complex of aryloxy ether skeleton, preparation method and application | 20200811 |
CN-111777530-A | Method for catalyzing asymmetric Henry reaction of trifluoromethyl ketone | 20200722 |
CN-111777530-B | Method for catalyzing asymmetric Henry reaction of trifluoromethyl ketone | 20200722 |
PMID | Publication Date | Title | Journal |
20966954 | 20101101 | Synthesis of polyynes to model the sp-carbon allotrope carbyne | Nature chemistry |
20235608 | 20100325 | Combining homogeneous catalysis with heterogeneous separation using tunable solvent systems | The journal of physical chemistry. A |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.08266 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.08266 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6 |
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