1-(2-Chlorophenyl)acetone - CAS 6305-95-9

Catalog:	BB031971
Product Name:	1-(2-Chlorophenyl)acetone
CAS:	6305-95-9
Synonyms:	1-(2-chlorophenyl)-2-propanone; 1-(2-chlorophenyl)propan-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-chlorophenyl)propan-2-one
Description:	1-(2-Chlorophenyl)acetone (CAS# 6305-95-9) is a useful research chemical compound.
Molecular Weight:	168.62
Molecular Formula:	C9H9ClO
Canonical SMILES:	CC(=O)CC1=CC=CC=C1Cl
InChI:	InChI=1S/C9H9ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
InChI Key:	LWGNDIMNCPMZOF-UHFFFAOYSA-N
Boiling Point:	102-103 °C / 3 mmHg
Density:	1.14 g/cm³
Appearance:	Solid
MDL:	MFCD00045175
LogP:	2.47150

Publication Number	Title	Priority Date
WO-2021104486-A1	Compound containing benzene ring and application thereof	20191129
CN-112851677-A	Synthesis method of imidazopyridine or pyrimidine derivative	20191126
CN-112694449-A	Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone	20191023
WO-2020190791-A1	Inhibiting cyclic amp-responsive element-binding protein (creb)	20190315
TW-202102494-A	Inhibiting cyclic amp-responsive element-binding protein (creb)	20190315

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0341926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2