1-Chloro-2-octyne - CAS 51575-83-8

Catalog:	BB027498
Product Name:	1-Chloro-2-octyne
CAS:	51575-83-8
Synonyms:	1-chlorooct-2-yne

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chlorooct-2-yne
Description:	1-Chloro-2-octyne (CAS# 51575-83-8) is a useful research chemical.
Molecular Weight:	144.64
Molecular Formula:	C8H13Cl
Canonical SMILES:	CCCCCC#CCCl
InChI:	InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3
InChI Key:	OUMUOQQKEAGFCJ-UHFFFAOYSA-N
Boiling Point:	40-41 °C / 0.5 mmHg (lit.)
Purity:	> 97.0 % (GC)
Density:	0.931 g/cm³
MDL:	MFCD00274223
LogP:	2.80890

Publication Number	Title	Priority Date
CN-112831059-A	Modified lignin, preparation method thereof and application thereof in rubber composite material	20201228
WO-2021162048-A1	Curable composition and cured product thereof	20200213
WO-2021162049-A1	Heat-curable composition, and cured product thereof	20200213
WO-2020196864-A1	Foam, sound-absorbing material, resin composition, sound-absorbing method, sound-absorbing structure, sound-absorbing structure production method, sound-absorbing material production method, building, and vehicle	20190327
JP-2020158695-A	Resin composition for foam, foam, and method for producing foam	20190327

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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

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0705781
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.0705781
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5