1-Chloro-4-ethynylbenzene - CAS 873-73-4
Catalog: |
BB038410 |
Product Name: |
1-Chloro-4-ethynylbenzene |
CAS: |
873-73-4 |
Synonyms: |
1-chloro-4-ethynylbenzene |
IUPAC Name: | 1-chloro-4-ethynylbenzene |
Description: | 1-Chloro-4-ethynylbenzene (CAS# 873-73-4) is a compound useful in organic synthesis. |
Molecular Weight: | 136.58 |
Molecular Formula: | C8H5Cl |
Canonical SMILES: | C#CC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
InChI Key: | LFZJRTMTKGYJRS-UHFFFAOYSA-N |
Boiling Point: | 79-82 °C (23 mmHg) |
Purity: | 97.0 % |
Density: | 1.15 g/cm3 |
MDL: | MFCD00191917 |
LogP: | 2.32130 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501835-A | Aluminium chloride catalyzed end group alkyne dehydroboronization method | 20210712 |
CN-113429325-A | Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof | 20210706 |
CN-113292444-A | Multi-substituent-containing bia-dilute amide compound and preparation method thereof | 20210602 |
CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 20210525 |
CN-113149927-A | Vanillin isoxazole compound and preparation method and application thereof | 20210507 |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0079779 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0079779 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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