3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester is a complex organic compound with the molecular formula C12H19NO5. It is an ester derivative of 3-nitropropionic acid, where the acid is esterified with the chiral cyclohexyl alcohol (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexanol. 3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester is characterized by its unique stereochemistry, with three chiral centers leading to a specific spatial arrangement of the isopropyl and methyl groups on the cyclohexane ring. The nitro group in the propionic acid part of the molecule introduces a nitro functional group, which can be significant in terms of reactivity and potential applications. This ester is not commonly found in nature and is typically synthesized for specific uses in chemical research or as an intermediate in the synthesis of other compounds. Its properties, such as solubility and reactivity, can be influenced by the presence of the nitro group and the stereochemistry of the cyclohexyl moiety.
100423-94-7
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Basic information
- Product Name: 3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester
- Synonyms:
- CAS NO:100423-94-7
- Molecular Formula:
- Molecular Weight: 257.33
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester(100423-94-7)
- EPA Substance Registry System: 3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester(100423-94-7)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 100423-94-7(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 100423-94-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,4,2 and 3 respectively; the second part has 2 digits, 9 and 4 respectively.Calculate Digit Verification of CAS Registry Number 100423-94:
(8*1)+(7*0)+(6*0)+(5*4)+(4*2)+(3*3)+(2*9)+(1*4)=67
67 % 10 = 7
So 100423-94-7 is a valid CAS Registry Number.
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3-Nitro-propionic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester
