1-Chloro-4-methoxybutane - CAS 17913-18-7

Catalog:	BB013546
Product Name:	1-Chloro-4-methoxybutane
CAS:	17913-18-7
Synonyms:	1-chloro-4-methoxybutane; 1-chloro-4-methoxybutane

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-4-methoxybutane
Description:	1-Chloro-4-methoxybutane (CAS# 17913-18-7) is a compound useful in organic synthesis.
Molecular Weight:	122.59
Molecular Formula:	C5H11ClO
Canonical SMILES:	COCCCCCl
InChI:	InChI=1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3
InChI Key:	DFLRARJQZRCCKN-UHFFFAOYSA-N
Boiling Point:	138.3 °C at 760 mmHg
Density:	0.951 g/cm³
Appearance:	Clear colorless oil
MDL:	MFCD00209961
LogP:	1.65180

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	31.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.0498427
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.0498427
Rotatable Bond Count:	4
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4