4-Butoxybenzoyl chloride - CAS 33863-86-4

Catalog:	BB021871
Product Name:	4-Butoxybenzoyl chloride
CAS:	33863-86-4
Synonyms:	4-butoxybenzoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-butoxybenzoyl chloride
Description:	4-Butoxybenzoyl chloride (CAS# 33863-86-4) is a useful research chemical.
Molecular Weight:	212.67
Molecular Formula:	C11H13ClO2
Canonical SMILES:	CCCCOC1=CC=C(C=C1)C(=O)Cl
InChI:	InChI=1S/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChI Key:	KMGCTFHTBKBITO-UHFFFAOYSA-N
Boiling Point:	162 ℃ (10 torr)
Density:	1.122 g/cm³
MDL:	MFCD00000689
LogP:	3.24450

Publication Number	Title	Priority Date
CN-111320564-A	Room-temperature phosphorescent material with dependent excitation wavelength as well as preparation method and application thereof	20200108
WO-2020112583-A1	Pyrrolidinone derivatives as formyl peptide 2 receptor agonists	20181126
CN-113166134-A	Pyrrolidone derivatives as formyl peptide 2 receptor agonists	20181126
EP-3887366-A1	Pyrrolidinone derivatives as formyl peptide 2 receptor agonists	20181126
KR-20210095897-A	Pyrrolidinone derivatives as formyl peptide 2 receptor agonists	20181126

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0604073
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.0604073
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6