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| CAS No.: | 626-27-7 |
|---|---|
| Name: | HEPTANOIC ANHYDRIDE |
| Article Data: | 22 |
| Molecular Structure: | |
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|
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| Formula: | C14H26O3 |
| Molecular Weight: | 242.359 |
| Synonyms: | Heptanoicacid, anhydride (9CI);Heptanoic anhydride (6CI,7CI,8CI);Enanthic anhydride;Heptanoyl anhydride;NSC 67902;n-Heptanoic acid anhydride; |
| EINECS: | 210-940-5 |
| Density: | 0.931 g/cm3 |
| Melting Point: | -12 °C |
| Boiling Point: | 269.5 °C at 760 mmHg |
| Flash Point: | 129.9 °C |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26-28 |
| PSA: | 43.37000 |
| LogP: | 3.99700 |
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Specification
The IUPAC name of Heptanoic anhydride is Heptanoyl heptanoate. With the CAS registry number 626-27-7, it is also named as Heptanoic acid anhydride. The product's category is Pharmaceutical Intermediates. Besides, it is clear light yellow liquid, which should be stored in sealed containers and placed in a cool, dry place. In addition, its molecular formula is C14H26O3 and molecular weight is 242.35.
The other characteristics of this product can be summarized as: (1)EINECS: 210-940-5; (2)ACD/LogP: 4.83; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.83; (5)ACD/LogD (pH 7.4): 4.83; (6)ACD/BCF (pH 5.5): 2761.32; (7)ACD/BCF (pH 7.4): 2761.32; (8)ACD/KOC (pH 5.5): 10109.89; (9)ACD/KOC (pH 7.4): 10109.89; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 12; (13)Polar Surface Area: 43.37 Å2; (14)Index of Refraction: 1.44; (15)Molar Refractivity: 68.71 cm3; (16)Molar Volume: 260.2 cm3; (17)Polarizability: 27.24×10-24cm3; (18)Surface Tension: 31.9 dyne/cm; (19)Density: 0.931 g/cm3; (20)Flash Point: 129.9 °C; (21)Melting point: -12 °C; (22)Enthalpy of Vaporization: 50.76 kJ/mol; (23)Boiling Point: 269.5 °C at 760 mmHg; (24)Vapour Pressure: 0.00723 mmHg at 25 °C.
Preparation of Heptanoic anhydride: this chemical can be prepared by Heptanoic acid.
This reaction needs N(C2H5)3, N,N-bis<2-oxo-3-oxazolidinyl>phosphorodiamidic chloride and CH2Cl2 at temperature of 20 °C. The reaction time is 30 min. The yield is 97 %.
Uses of Heptanoic anhydride: this chemical is used in organic synthesis. Furthermore, it can react with Phenylalanine to get Heptanoic acid (1-benzyl-2-oxo-octyl)-amide.
This reaction needs Pyridine by heating. The reaction time is 4 hours. The yield is 51 %.
When you are using this chemical, please be cautious about it as the following: Heptanoic anhydride may cause burns. Please wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. After contact with skin, please wash immediately with plenty of soap-suds. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC(=O)CCCCCC)CCCCCC
(2)InChI:InChI=1/C14H26O3/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2/h3-12H2,1-2H3
(3)InChIKey:DAPZDAPTZFJZTO-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C14H26O3/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2/h3-12H2,1-2H3
(5)Std. InChIKey:DAPZDAPTZFJZTO-UHFFFAOYSA-N