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(3-Bromo-1-propynyl)benzene solution

(3-Bromo-1-propynyl)benzene solution - CAS 1794-48-5

Catalog:	BB013574
Product Name:	(3-Bromo-1-propynyl)benzene solution
CAS:	1794-48-5
Synonyms:	3-bromoprop-1-ynylbenzene

Technical Data

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Computed Properties

IUPAC Name:	3-bromoprop-1-ynylbenzene
Description:	(3-Bromo-1-propynyl)benzene solution (CAS# 1794-48-5) is a useful research chemical.
Molecular Weight:	195.06
Molecular Formula:	C9H7Br
Canonical SMILES:	C1=CC=C(C=C1)C#CCBr
InChI:	InChI=1S/C9H7Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2
InChI Key:	RKNCIBMWPVZEAJ-UHFFFAOYSA-N
MDL:	MFCD12025402
LogP:	2.43300

Publication Number	Title	Priority Date
CN-111662147-A	Process for preparing diynes and analogues thereof	20200703
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
CN-111285874-A	RET inhibitors, pharmaceutical compositions thereof and uses thereof	20181207
WO-2020114494-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
EP-3891148-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207

PMID	Publication Date	Title	Journal
19813740	20100415	Photoionization of three isomers of the C9H7 radical	The journal of physical chemistry. A
18681406	20080905	Silver-catalyzed one-pot synthesis of arylnaphthalene lactones	The Journal of organic chemistry
16986976	20060928	Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles	Organic letters

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.97311
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.97311
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9