Cas no 30605-38-0 (2-Propanone, dichloro-)
2-Propanone, dichloro- structure
Product Name:2-Propanone, dichloro-
CAS No:30605-38-0
MF:C3H4Cl2O
MW:126.969259262085
CID:311028
PubChem ID:10567
Update Time:2025-04-19
2-Propanone, dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, dichloro-
- Dichloroacetone
- EINECS 208-175-7
- NCGC00248919-01
- 1,1-dichloropropan-2-one
- AKOS000120078
- NSC-42725
- NS00020655
- 1,1-Dichloro-2-propanone, analytical standard
- alpha,alpha-Dichloroacetone
- NSC 42725
- 513-88-2
- MCU87D3FRT
- BRN 1740214
- SCHEMBL64269
- EN300-20693
- HSDB 7624
- 2-Propanone, 1,1-dichloro-
- .alpha.,.alpha.-Dichloroacetone
- DTXCID601576
- SCHEMBL7804464
- dichloraceton
- Tox21_201090
- 2-Propanone,1-dichloro-
- CCRIS 1941
- NCGC00258642-01
- 1,1-dichoroacetone
- 1,1-Dichloro-2-propanone
- 1,1-DICHLOROPROPANONE
- InChI=1/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H
- 1,1-Dichloroacetone
- dichloro acetone
- 1,1-dichloromethyl methyl ketone
- AI3-52312
- CAS-513-88-2
- UNII-MCU87D3FRT
- NSC42725
- Q27283898
- 30605-38-0
- DTXSID7021576
- FT-0606102
- Dichloromethyl methyl ketone
- CHEMBL3188688
- 1,1-DICHLOROACETONE [MI]
- Dichloropropanone
-
- Inchi： 1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
- InChI Key： CSVFWMMPUJDVKH-UHFFFAOYSA-N
- SMILES： ClC(C(C)=O)Cl
Computed Properties
- Exact Mass: 125.96402
- Monoisotopic Mass: 125.964
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 59.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 1.3
Experimental Properties
- Color/Form: Transparent colorless to yellow liquid
- Density: 0.699
- Boiling Point: 68.8°Cat760mmHg
- Flash Point: °C
- Refractive Index: n20/D 1.446(lit.)
- PSA: 17.07
2-Propanone, dichloro- Related Literature
-
1. Organohalogen compounds. Part II. The reactions of 2,3-dimethyl-buta-1,3-diene with chlorine and with iodine monochlorideE. Z. Said,A. E. Tipping J. Chem. Soc. Perkin Trans. 1 1972 1986
-
Alison G. Lewin,David Johnson,David W. Price,George Marston Phys. Chem. Chem. Phys. 2001 3 1253
-
Masafumi Hirano,Takuya Okamoto,Nobuyuki Komine,Sanshiro Komiya New J. Chem. 2014 38 5052
-
4. The transient dienophile diethyl thioxomalonate and its S-oxide (sulphine) formed by retro-Diels–Alder cleavage reactionsGordon W. Kirby,William M. McGregor J. Chem. Soc. Perkin Trans. 1 1990 3175
-
Ting-An Chen,Young-Seok Shon Catal. Sci. Technol. 2017 7 4823
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