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ChemicalBook--->CAS DataBase List--->1694-29-7

1694-29-7

1694-29-7 Structure

1694-29-7 Structure
IdentificationMore
[Name]

3-CHLORO-2,4-PENTANEDIONE
[CAS]

1694-29-7
[Synonyms]

3-CHLORO-2,4-PENTANEDIONE
3-CHLOROACETYLACETONE
2,4-Pentanedione, 3-chloro-
3-chloro-4-pentanedione
3-chloropentane-2,4-dione
3-Chloropentandione-2,4
3-CHLORO-2 4-PENTANEDIONE WACKER QUALI&
3-CHLOROACETYLACETONE 99+ %
3-Chloroacetylacetone, 3-Cl-ACAC
3-Chloro-2,4-pentadione
[EINECS(EC#)]

216-902-4
[Molecular Formula]

C5H7ClO2
[MDL Number]

MFCD00009651
[Molecular Weight]

134.56
[MOL File]

1694-29-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to very deep brown liquid
[Melting point ]

-15 °C
[Boiling point ]

49-52 °C/18 mmHg (lit.)
[density ]

1.129 g/mL at 25 °C(lit.)
[vapor pressure ]

15 hPa (20 °C)
[refractive index ]

n20/D 1.483(lit.)
[Fp ]

54 °F
[storage temp. ]

2-8°C
[solubility ]

7.65g/l
[form ]

Liquid
[pka]

6.77±0.46(Predicted)
[color ]

Clear yellow to very deep brown
[Specific Gravity]

1.129
[PH]

3.9 (7.65g/l, H2O, 20℃)
[explosive limit]

2.1%(V)
[BRN ]

605870
[CAS DataBase Reference]

1694-29-7(CAS DataBase Reference)
[EPA Substance Registry System]

2,4-Pentanedione, 3-chloro- (1694-29-7)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[F ]

19
[Autoignition Temperature]

485 °C
[HazardClass ]

3.1
[PackingGroup ]

II
[HS Code ]

29147000
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Amino-4-methyl-5-acetylthiazole-->5-Acetyl-2,4-dimethylthiazole-->1-(2-amino-4-methylthiazol-5-yl)-2-bromoethanone-->(E)-3-(4-CHLOROPHENYL)-1-[2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOL-5-YL]-2-PROPEN-1-ONE-->3-(Benzoyloxy)-2,4-pentanedione-->2,4-Pentanedione, 3-fluoro- (6CI,8CI,9CI)-->1-(4-Methyloxazol-5-yl)ethanone-->2(3H)-Thiazolone, 5-acetyl-4-methyl- (9CI)
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to very deep brown liquid
[Uses]

3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.
[General Description]

The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLORO-2,4-PENTANEDIONE(1694-29-7)MS
3-CHLORO-2,4-PENTANEDIONE(1694-29-7)1HNMR
3-CHLORO-2,4-PENTANEDIONE(1694-29-7)IR1
3-CHLORO-2,4-PENTANEDIONE(1694-29-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chloro-2,4-pentanedione, 98%(1694-29-7)
[Sigma Aldrich]

1694-29-7(sigmaaldrich)
[TCI AMERICA]

3-Chloroacetylacetone,>95.0%(GC)(1694-29-7)
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