1-Bromo-4-ethynylbenzene - CAS 766-96-1
Catalog: |
BB035676 |
Product Name: |
1-Bromo-4-ethynylbenzene |
CAS: |
766-96-1 |
Synonyms: |
1-bromo-4-ethynylbenzene |
IUPAC Name: | 1-bromo-4-ethynylbenzene |
Description: | Starting material for heterocyclotriynes, second-order nonlinear optical materials, and unsymmetrical 1,4-diarylbutadiynes. |
Molecular Weight: | 181.03 |
Molecular Formula: | C8H5Br |
Canonical SMILES: | C#CC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
InChI Key: | LTLVZQZDXQWLHU-UHFFFAOYSA-N |
Boiling Point: | 88-90 °C / 16 mmHg, 199.2 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD00168822 |
LogP: | 2.43040 |
GHS Hazard Statement: | H302 (87.23%): 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 |
CN-113429325-A | Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof | 20210706 |
CN-113354511-A | Synthesis method of gem-1, 3-eneyne compound | 20210609 |
CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 20210525 |
CN-113307753-A | Preparation method of thioether derivative | 20210524 |
CN-113249117-A | Mesoporous organic-inorganic silicon oxide with light-emitting property and preparation method thereof | 20210520 |
PMID | Publication Date | Title | Journal |
15907135 | 20050530 | Synthesis, photophysics, and optical limiting of platinum(II) 4'-tolylterpyridyl arylacetylide complexes | Inorganic chemistry |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.95746 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.95746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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