3-Bromophenylacetylene - CAS 766-81-4
Catalog: |
BB035668 |
Product Name: |
3-Bromophenylacetylene |
CAS: |
766-81-4 |
Synonyms: |
1-bromo-3-ethynylbenzene; 1-bromo-3-ethynylbenzene |
IUPAC Name: | 1-bromo-3-ethynylbenzene |
Description: | 3-Bromophenylacetylene (CAS# 766-81-4) is a useful research chemical. |
Molecular Weight: | 181.03 |
Molecular Formula: | C8H5Br |
Canonical SMILES: | C#CC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H |
InChI Key: | TZDXNFAAJNEYIO-UHFFFAOYSA-N |
Boiling Point: | 211.8 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
LogP: | 2.43040 |
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 |
CN-113429325-A | Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof | 20210706 |
CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 20210525 |
CN-113149827-A | Method for synthesizing alkynoic acid by using terminal alkyne and carbon dioxide | 20210419 |
CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 20210331 |
CN-112851566-A | Synthesis method of alpha-oxo-selenoamide derivative | 20210128 |
Complexity: | 131 |
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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