Basic information
- CAS
21679-31-2- Standard SMILES
CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[Cr+3]- InChIKey
JWORPXLMBPOPPU-UHFFFAOYSA-K- Molecular formula
- C15H21CrO6
- Average molar mass
- 349.32 g/mol
- Monoisotopic mass
- 349.074318
Overview
See also: chromium(III) acetylacetonate (annotation moved to).
Names & identifiers
- Preferred name
- Tris(acetylacetonato)chromium
- IUPAC
- chromium(3+);tris(4-oxopent-2-en-2-olate)
- English name
- Chromium(III) acetylacetonate
- Molecular formula
- C15H21CrO6
- Molecular weight
- 349.32
Names & synonyms
Tris(acetylacetonato)chromium21679-31-2chromium(3+);4-oxopent-2-en-2-olateMFCD00000015C15H21CrO6Tris(2,4-pentanedionato)chromium(III)Chromium (III) acetylacetonatechromic;pentane-2,4-dionechromic;4-oxopent-2-en-2-olateSY010217DB-045663F450501
Show more names
Cr(acac)3CHROMIUM ACETYLACETONATECHROMIUM(III) 2,4-PENTANEDIONATECHROMIUM(III) AA(CH3COCHCOCH3)3CrChromium(III) acetylAcetylacetone calciumChromiumpentanedionateCHROMIC ACETYLACETONATEAcetyl acetone chromium
Q4119781
Database identifiers
- CAS
21679-31-2- PubChem CID
- 89012
- EC Number
- 244-526-0
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 90.4
Physicochemical properties
- Melting point
- 210 °C · 210 °C(lit.)
- Boiling point
- 340 °C · 340 °C(lit.)
- Density
- 1 · 1,35 g/cm3
- bulk density
- 450 kg/m3 · 450kg/m3
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Flash point
- 200 °C · >200°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 11 g/l · 11g/l
- form
- Crystalline Powder, Crystals, and/or Chunks
- Specific Gravity
- 1.35 · 1.35
- color
- Purple to maroon
- PH
- 6 · 6 (1g/l, H2O, 20℃)
- Water Solubility
- 11 g/L · 11 g/L (20 ºC)
- Hydrolytic Sensitivity
- 1 · 1: no significant reaction with aqueous systems
- BRN
- 4148971 · 4148971
- Exposure limits
- 25 mg/m3; · NIOSH: IDLH 25 mg/m3; TWA 0.5 mg/m3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.6% (3 of 65) of reports.
Warning
H315 (95.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Chromium, tris(2,4-pentanedionato-O,O')-, (OC-6-11)-
REACH registered substance: Chromium(III) 4-oxopent-2-ene-2-olate (EC: 244-526-0)
Chromium, tris(2,4-pentanedionato-.kappa.O,.kappa.O')-, (OC-6-11)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (95.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GB7575000
- hs_code
- 29420000
- Toxicity
- LD50 orally in Rabbit: 3360 mg/kg LD50 dermal Rabbit 6350 mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationChromium, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)-: ACTIVE
Applications
UsesChromium(III) acetylacetonate is a useful research chemical.
UsesCatalyst in the oxidation of methacrylic esters by hydrogen peroxide, MOCVDChromium(III) 2,4-pentanedionate is used in the reduction of detonation of nitromethane. It is also used in NMR spectroscopy as a relaxation agent due to its solubility in nonpolar organic solvents and its paramagnetism. Further, it is involved in the modification of the surface properties of solid polyurethanes.
UsesChromium(III) acetylacetonate may be used as an active site in the formation of redox systems for the fabrication of flow batteries. It may also be used as a precursor for chromium nitride based metallic coatings.
General DescriptionChromium(III) acetylacetonate is an acidopentamminechromium (111) salt, which is a crystalline material that can be prepared by treatment of precipitated hydrous chromium(III) oxide with acetylacetone.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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