1,6-Diphenoxy-2,4-hexadiyne - CAS 30980-37-1
Catalog: |
BB020771 |
Product Name: |
1,6-Diphenoxy-2,4-hexadiyne |
CAS: |
30980-37-1 |
Synonyms: |
6-phenoxyhexa-2,4-diynoxybenzene |
IUPAC Name: | 6-phenoxyhexa-2,4-diynoxybenzene |
Description: | 1,6-Diphenoxy-2,4-hexadiyne (CAS# 30980-37-1 ) is a useful research chemical. |
Molecular Weight: | 262.30 |
Molecular Formula: | C18H14O2 |
Canonical SMILES: | C1=CC=C(C=C1)OCC#CC#CCOC2=CC=CC=C2 |
InChI: | InChI=1S/C18H14O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,15-16H2 |
InChI Key: | ZBTRFBNXAKJTBI-UHFFFAOYSA-N |
Boiling Point: | 443.1 °C at 760 mmHg |
Melting Point: | 80-81 °C |
Purity: | 95 % |
Density: | 1.135 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00041712 |
LogP: | 3.15120 |
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-112759735-A | Polyurethane-based hydrogen-absorbing material and preparation method thereof | 20210115 |
KR-101221817-B1 | Novel bichromen, biquinoline derivatives and preparation methods thereof | 20120510 |
EP-2324477-A1 | Data storage medium | 20080910 |
EP-2324477-B1 | Data storage medium | 20080910 |
EP-2326753-A2 | Textile colouration with diacetylene compounds | 20080910 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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