Crotyl bromide - CAS 29576-14-5

Catalog:	BB020241
Product Name:	Crotyl bromide
CAS:	29576-14-5
Synonyms:	(E)-1-bromobut-2-ene

Technical Data

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Computed Properties

IUPAC Name:	(E)-1-bromobut-2-ene
Description:	Crotyl bromide (CAS# 29576-14-5) is an intermediate in synthesizing Tabanone (T003450), found in oils of Trifolium pratense L. and is a potential natural antioxidant.
Molecular Weight:	135.00
Molecular Formula:	C4H7Br
Canonical SMILES:	CC=CCBr
InChI:	InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
InChI Key:	AVMHMVJVHYGDOO-NSCUHMNNSA-N
Boiling Point:	104.5 °C at 760 mmHg
Density:	1.331 g/cm³
Appearance:	Colorless to light yellow liquid
MDL:	MFCD00000248
LogP:	1.95740

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-112552206-A	Azophenyl derivative, solar thermal energy fuel film composite material, and preparation method and application thereof	20201216
CN-111732681-A	Bi-component latent metal carbene catalytic system, dicyclopentadiene polymeric bi-material system and polydicyclopentadiene composite material	20200702
CN-111423891-A	Synthesis method of 4- (trans-3-pentene) -4' -alkylcyclohexyl biphenyl liquid crystal compound	20200429

PMID	Publication Date	Title	Journal
21538904	20110801	Palladium-catalyzed allyl cross-coupling reactions with in situ generated organoindium reagents	Chemistry, an Asian journal
20027999	20100205	Indium-mediated asymmetric barbier-type allylations: additions to aldehydes and ketones and mechanistic investigation of the organoindium reagents	The Journal of organic chemistry
21580997	20081018	(E)-1,1'-Bis[(E)-but-2-en-yl]-3,3'-(propane-1,3-di-yl)bis-(1H-benzimidazol-3-ium) dibromide monohydrate	Acta crystallographica. Section E, Structure reports online
17042595	20061014	Photodissociation of 1-bromo-2-butene, 4-bromo-1-butene, and cyclopropylmethyl bromide at 234 nm studied using velocity map imaging	The Journal of chemical physics
16268656	20051111	Synthesis of eupomatilone-6 and assignment of its absolute configuration	The Journal of organic chemistry

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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, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, 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:	133.97311
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.97311
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9