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Crotyl chloride, predominantly trans

Crotyl chloride, predominantly trans - CAS 4894-61-5

Catalog:	BB026618
Product Name:	Crotyl chloride, predominantly trans
CAS:	4894-61-5
Synonyms:	(E)-1-chlorobut-2-ene

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Computed Properties

IUPAC Name:	(E)-1-chlorobut-2-ene
Description:	Crotyl chloride, predominantly trans (CAS# 4894-61-5) is a useful intermediate used in the preparation of crotyltrichlorosilanes and in other crotylsilylation related reactions.
Molecular Weight:	90.55
Molecular Formula:	C4H7Cl
Canonical SMILES:	CC=CCCl
InChI:	InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
InChI Key:	YTKRILODNOEEPX-NSCUHMNNSA-N
Boiling Point:	80-85 °C
Density:	0.92 g/cm³
Appearance:	(E)- and (Z)-forms are liquids
LogP:	1.80130
Vapor Pressure:	69.0 [mmHg]

Publication Number	Title	Priority Date
CN-113024335-A	Synthesis method of trans, trans-4-alkyl-4' -pentyl-3 (E) -alkene-bicyclohexane liquid crystal monomer	20210312
CN-113024375-A	Preparation method of trans, trans-4-alkyl-4' -pentyl-3 (E) ene-bicyclohexane liquid crystal monomer	20210118
CN-112250715-A	Preparation method of chloro (crotyl) (3-tert-butylphosphoryl) palladium (II)	20201029
CN-111423891-A	Synthesis method of 4- (trans-3-pentene) -4' -alkylcyclohexyl biphenyl liquid crystal compound	20200429
CN-113372521-A	Modified phenolic resin, preparation method thereof and application thereof as tackifying resin	20200310

PMID	Publication Date	Title	Journal
17260978	20070222	Kinetics, products, and stereochemistry of the reaction of chlorine atoms with cis- and trans-2-butene in 10-700 Torr of N2 or N2/O2 diluent at 297 K	The journal of physical chemistry. A

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GHS Hazard Statement:	H225 (86.13%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P390, P403+P235, P404, P405, and P501
Signal Word:	Danger

Complexity:	30.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	90.0236279
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	90.0236279
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7