4-(Acetoxy)benzoyl chloride - CAS 27914-73-4

Catalog:	BB019706
Product Name:	4-(Acetoxy)benzoyl chloride
CAS:	27914-73-4
Synonyms:	(4-carbonochloridoylphenyl) acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-carbonochloridoylphenyl) acetate
Description:	4-(Acetoxy)benzoyl chloride (CAS# 27914-73-4) is a useful research chemical compound.
Molecular Weight:	198.60
Molecular Formula:	C9H7ClO3
Canonical SMILES:	CC(=O)OC1=CC=C(C=C1)C(=O)Cl
InChI:	InChI=1S/C9H7ClO3/c1-6(11)13-8-4-2-7(3-5-8)9(10)12/h2-5H,1H3
InChI Key:	CGEOYYBCLBIBLG-UHFFFAOYSA-N
Boiling Point:	286.642 °C at 760 mmHg
Density:	1.294 g/cm³
Appearance:	Liquid or low mp solid
MDL:	MFCD03424709
LogP:	1.99090

Publication Number	Title	Priority Date
JP-2021127402-A	Vinyl compounds and vinyl polymers	20200214
KR-20210089290-A	Novel 1-phenyl-1H-pyrazole derivatives and use thereof	20200107
US-2021139503-A1	Processes for preparing an s1p-receptor modulator	20191031
WO-2021087292-A1	Processes for preparing an s1p-receptor modulator	20191031
RU-2726456-C1	Hepatitis b virus (hbv) inhibitor	20191002

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0083718
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.0083718
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9