Related Searches: 2',4'-Dichloroacetophenone, dichloroacetophenone, 4-(4-Hydroxyphenyl)-2-butanone, 4-4-hydroxyphenyl-2-butanone, 2-Amino-4-picoline, View all

2',4'-Dichloroacetophenone(CAS No. 2234-16-4)

2',4'-Dichloroacetophenone C8H6Cl2O (cas 2234-16-4) Molecular Structure

2234-16-4 Structure

Identification and Related Records

【Name】
2',4'-Dichloroacetophenone
【Iupac name】
1-(2,4-dichlorophenyl)ethanone
【CAS Registry number】
2234-16-4
【Synonyms】
1-(2,4-Dichlorophenyl)ethanone
2,4-Dichloroacetophenone
2,4-Dichlopoacetophenone
2,4-Dicloro actophenone
2,4-Dichloroaceophenone
【EINECS(EC#)】
218-780-8
【Molecular Formula】
C8H6Cl2O (Products with the same molecular formula)
【Molecular Weight】
189.04
【Inchi】
InChI=1/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
【InChIKey】
XMCRWEBERCXJCH-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=C(C=C(C=C1)Cl)Cl
【MOL File】
2234-16-4.mol

Chemical and Physical Properties

【Appearance】
white to off-white crystals
【Density】
1.32
【Melting Point】
29-34℃
【Boiling Point】
242℃
【Vapour】
0.0268mmHg at 25°C
【Refractive Index】
1.5635
【Flash Point】
131℃
【Water】
ca. 200 mg/L
【Solubilities】
SOLVENT
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:189.03864 [g/mol]
Molecular Formula:C8H6Cl2O
XLogP3:2.7
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:187.97957
MonoIsotopic Mass:187.97957
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:158
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R52/53
【Safety Statements 】
S61
【Hazard Note】

Irritant

【Transport】
50

Supplier Location

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Telephone:86-0-15195055733

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