Basic Description

Synonyms	1,7-Octadiyne, 98% \| FT-0607030 \| MFCD00008580 \| octa-1,7-diyne \| Oct-1,7-diyne \| AS-79718 \| NSC 35135 \| NSC35135 \| NSC-35135 \| 1,7-Octadiyne \| AT23232 \| EINECS 212-815-0 \| PD2DJ8KFZ6 \| InChI=1/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H \| UNII-PD2DJ8KFZ6 \| 1,7 oct
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice
Product Description	1,7-Octadiyne is a terminal bis-alkyne and participates in the formation of uranium(IV) vinyl complexes. It reacts with frustrated Lewis pair P(o-tolyl)3/B(C6F5)3 by acetylene C-C coupling to yield the zwitterionic product. It undergoes the reductive cyclization during reaction with Re2Cl4(μ-dppm)2 (dppm = Ph2PCH2PPh2) and affords quadruply bonded dirhenium(III) complex Re2Cl3(μ,η2-C8H7)(μ-dppm)2.

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Names and Identifiers

Pubchem Sid	488184472
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184472
IUPAC Name	octa-1,7-diyne
INCHI	InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2
InChi Key	DSOJWVLXZNRKCS-UHFFFAOYSA-N
Canonical SMILES	C#CCCCCC#C
Isomeric SMILES	C#CCCCCC#C
WGK Germany	3
PubChem CID	70099
UN Number	3295
Molecular Weight	106.17
Beilstein	1(2)248
Reaxy-Rn	1697275

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
E2310716	Certificate of Analysis	Jan 22, 2025	O110225
E2310717	Certificate of Analysis	Jan 22, 2025	O110225
E2310718	Certificate of Analysis	Jan 22, 2025	O110225
E2310721	Certificate of Analysis	Jan 22, 2025	O110225
E2310748	Certificate of Analysis	Jan 22, 2025	O110225
E2310751	Certificate of Analysis	Jan 22, 2025	O110225

Chemical and Physical Properties

Solubility	Not miscible or difficult to mix.
Refractive Index	1.446
Flash Point(°F)	73.4 °F
Flash Point(°C)	23 °C
Boil Point(°C)	135-136°C
Molecular Weight	106.160 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	106.078 Da
Monoisotopic Mass	106.078 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	107.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS07, GHS02
Signal	Danger
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H226:Flammable liquid and vapor H304:May be fatal if swallowed and enters airways
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use ... to extinguish. P210:Keep away from heat, hot surface, sparks, open flames and other ignition sources. - No smoking. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P264:Wash hands [and …] thoroughly after handling. P403+P235:Store in a well-ventilated place. Keep cool. P303+P361+P353:IF ON SKIN (or hair): Take off Immediately all contaminated clothing. Rinse SKIN with water [or shower]. P271:Use only outdoors or in a well-ventilated area. P241:Use explosion-proof [electrical/ventilating/lighting/.../] equipment. P331:Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3
Reaxy-Rn	1697275

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Citations of This Product(1)

How to Cite Aladdin Scientific Products?

1. Junnan He, Nan Zheng, Dan Xie, Yubin Zheng, Wangze Song. (2020) Multicomponent polymerization toward biodegradable polymers with diverse responsiveness in tumor microenvironments. Polymer Chemistry, 11 (6): (1198-1210). [PMID:] [10.1039/C9PY01576K]

References

1. Boris Kosog,Christos E Kefalidis,Frank W Heinemann,Laurent Maron,Karsten Meyer. (2012-06-29) Uranium(III)-mediated C-C-coupling of terminal alkynes: formation of dinuclear uranium(IV) vinyl complexes.. Journal of the American Chemical Society, 134 ((30)): (12792-12797). [PMID:22738030]
2. Shasha Wang,Bin Cheng. (2017-10-07) One-Pot Synthesis of Polypyrazoles by Click Reactions.. Scientific reports, 7 ((1)): (12712-12712). [PMID:28983109]
3. Christina A Braun,Nicole Martinek,Yuqiao Zhou,Michael J Ferguson,Eric Rivard. (2019-06-14) Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.. Dalton transactions (Cambridge, England : 2003), 48 ((27)): (10210-10219). [PMID:31192334]
4. Alla V Lipeeva,Danila O Zakharov,Liubov G Burova,Tatyana S Frolova,Dmitry S Baev,Ilia V Shirokikh,Alexander N Evstropov,Olga I Sinitsyna,Tatyana G Tolsikova,Elvira E Shults. (2019-06-15) Design, Synthesis and Antibacterial Activity of Coumarin-1,2,3-triazole Hybrids Obtained from Natural Furocoumarin Peucedanin.. Molecules (Basel, Switzerland), 24 ((11)): [PMID:31195697]
5. Erin P Shields,Stephen G Weber. (2020-02-06) A crosslinked, low pH-stable, mixed-mode cation-exchange like stationary phase made using the thiol-yne click reaction.. Journal of chromatography. A, 1618 (460851-460851). [PMID:32008826]
6. Chao Chen,Roland Fröhlich,Gerald Kehr,Gerhard Erker. (2010-04-09) Remarkably variable reaction modes of frustrated Lewis pairs with non-conjugated terminal diacetylenes.. Chemical communications (Cambridge, England), 46 ((20)): (3580-3582). [PMID:20376397]
7. Junnan He, Nan Zheng, Dan Xie, Yubin Zheng, Wangze Song. (2020) Multicomponent polymerization toward biodegradable polymers with diverse responsiveness in tumor microenvironments. Polymer Chemistry, 11 (6): (1198-1210). [PMID:] [10.1039/C9PY01576K]

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SKU	Size	Availability	Price	Qty
O110225-1ml	1ml	≥10	$12.90	+-
O110225-5ml	5ml	9	$46.90	+-
O110225-25ml	25ml	2	$133.90	+-

1,7-Octadiyne - 98%, high purity , CAS No.871-84-1