All Photos(1)
Synonym(s):
Isononanoyl chloride
Linear Formula:
(CH3)3CCH2CH(CH3)CH2COCl
CAS Number:
Molecular Weight:
176.68
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
form
liquid
refractive index
n20/D 1.436 (lit.)
bp
188-190 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
SMILES string
CC(CC(Cl)=O)CC(C)(C)C
InChI
1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChI key
GEKPNPPFAYJZRD-UHFFFAOYSA-N
General description
3,5,5-Trimethylhexanoyl chloride (isononanoyl chloride) is an acid chloride. Its has been reported to be synthesized by the chlorination of isononanoic acid with thionyl chloride.
Application
3,5,5-Trimethylhexanoyl chloride (isononanoyl chloride) may be used:
- As a reagent in the synthesis of barbituric acid analogs
- As a starting material in the synthesis of α-N-fattyacyl colistin nonapeptide derivative.
- As a reactant in the synthesis of 3,5,5-trimethylhexanamide.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Met. Corr. 1 - Skin Corr. 1A - Skin Sens. 1
Supplementary Hazards
WGK
WGK 1
Flash Point(F)
284.0 °F
Flash Point(C)
140 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Yong-Chul Jeong et al.
Molecules (Basel, Switzerland), 20(3), 3582-3627 (2015-02-25)
The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and some resistant Gram-positive strains of particular interest is that these systems possess amenable molecular weight, rotatable bonds and
Outer-Sphere Coordination Chemistry: Amido-Ammonium Ligands as Highly Selective Tetrachloridozinc (II) ate Extractants.
Turkington JR, et al.
Inorganic Chemistry, 51(23), 12805-12819 (2012)
Chemical synthesis, isolation and characterization of a-N-fattyacyl colistin nonapeptide with special reference to the correlation between antimicrobial activity and carbon number of fattyacyl moiety.
Chihara S, et al.
Agricultural and Biological Chemistry, 38(3), 521-529 (1974)
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