Propargyl chloride - CAS 624-65-7

Catalog:	BB031603
Product Name:	Propargyl chloride
CAS:	624-65-7
Synonyms:	3-chloroprop-1-yne

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Computed Properties

IUPAC Name:	3-chloroprop-1-yne
Description:	Propargyl chloride (CAS# 624-65-7) is an efficient propargylating agent. It generates propargyl radicals by the pulsed laser photolysis.
Molecular Weight:	74.51
Molecular Formula:	C3H3Cl
Canonical SMILES:	C#CCCl
InChI:	InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2
InChI Key:	LJZPPWWHKPGCHS-UHFFFAOYSA-N
Boiling Point:	58 ℃
Density:	1.03 g/cm³
Appearance:	Liquid
MDL:	MFCD00000980
LogP:	0.85840

Publication Number	Title	Priority Date
CN-214173006-U	Condenser for 3-chloropropyne production	20201223
CN-214190977-U	Automatic drying agent adding device for 3-chloropropyne distillation	20201222
CN-214183604-U	Centrifuge is used in production of 3-chloropropyne	20201221
CN-214075109-U	3-chloropropyne production is with stills residue clearance structure	20201219
CN-214076504-U	3-chloropropyne processing raw material mixing device	20201219

PMID	Publication Date	Title	Journal
21598968	20110707	Kinetics and mechanisms of the allyl + allyl and allyl + propargyl recombination reactions	The journal of physical chemistry. A
20969385	20101021	Electron attachment to propargyl chloride, 305-540 K	The Journal of chemical physics
20485794	20100607	Intrinsic acidity and electrophilicity of gaseous propargyl/allenyl carbocations	Organic & biomolecular chemistry
19956582	20091202	4-Bromophenacyl bromide specifically inhibits rhoptry secretion during Toxoplasma invasion	PloS one
19275143	20090423	Ultraviolet photodissociation dynamics of the propargyl radical	The journal of physical chemistry. A

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[51721-39-2]
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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	38.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	73.9923278
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	73.9923278
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9