Geranyl chloride - CAS 5389-87-7

Catalog:	BB028388
Product Name:	Geranyl chloride
CAS:	5389-87-7
Synonyms:	(2E)-1-chloro-3,7-dimethylocta-2,6-diene

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Computed Properties

IUPAC Name:	(2E)-1-chloro-3,7-dimethylocta-2,6-diene
Description:	Geranyl chloride (CAS# 5389-87-7) is a useful research chemical compound.
Molecular Weight:	172.69
Molecular Formula:	C10H17Cl
Canonical SMILES:	CC(=CCCC(=CCCl)C)C
InChI:	InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChI Key:	WLAUCMCTKPXDIY-JXMROGBWSA-N
Boiling Point:	102-104 °C / 12 mmHg (lit.)
Density:	0.931 g/cm³
Appearance:	Colorless to dark yellow liquid
MDL:	MFCD00000983
LogP:	3.91790

Publication Number	Title	Priority Date
CN-113004990-A	Environment-friendly liquid detergent paste and preparation method thereof	20210309
JP-2021001120-A	Aerosol products	20190619
WO-2020252369-A1	Crystalline cannabigerol	20190614
JP-6778791-B2	Smoke agent composition, and a method for alleviating the pungent odor after using the smoke agent	20190605
JP-2020189804-A	Smoke device	20190522

PMID	Publication Date	Title	Journal
15136800	20040521	Studies of the formation of all-carbon quaternary centres, en route to lyngbyatoxin A. A comparison of phenyl and 7-substituted indole systems	Organic & biomolecular chemistry
12423135	20021115	Permanganate oxidation of 1,5,9-trienes: stereoselective synthesis of tetrahydrofuran-containing fragments	The Journal of organic chemistry

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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:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	172.1018782
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.1018782
Rotatable Bond Count:	4
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2