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| CAS No.: | 19009-39-3 |
|---|---|
| Name: | Diisopropylcarbamoyl chloride |
| Article Data: | 21 |
| Molecular Structure: | |
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|
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| Formula: | C7H14ClNO |
| Molecular Weight: | 163.647 |
| Synonyms: | Diisopropylcarbamoyl chloride; |
| EINECS: | 242-743-5 |
| Density: | 1.019 g/cm3 |
| Melting Point: | 57-59 °C |
| Boiling Point: | 204.3 °C at 760 mmHg |
| Flash Point: | 82.4 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 |
| PSA: | 20.31000 |
| LogP: | 2.46400 |
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Specification
The (Dipropan-2-ylamino)formyl chloride, with the CAS registry number of 19009-39-3, is also known as Diisopropylcarbamoyl chloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 242-743-5. This chemical's molecular formula is C7H14ClNO and molecular weight is 163.65. What's more, its IUPAC name is N, N-Di(propan-2-yl)carbamoyl chloride.
Physical properties about (Dipropan-2-ylamino)formyl chloride are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.46; (6)ACD/BCF (pH 7.4): 19.46; (7)ACD/KOC (pH 5.5): 291.3; (8)ACD/KOC (pH 7.4): 291.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 42.99 cm3; (15)Molar Volume: 160.5 cm3; (16)Polarizability: 17.04×10-24 cm3; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 1.019 g/cm3; (19)Flash Point: 82.4 °C; (20)Enthalpy of Vaporization: 44.05 kJ/mol; (21)Boiling Point: 204.3 °C at 760 mmHg; (22)Vapour Pressure: 0.265 mmHg at 25 °C.
Preparation of (Dipropan-2-ylamino)formyl chloride: this chemical is prepared by reaction of Diisopropylamine with Carbonyl dichloride. The reaction needs solvent Toluene. The yield is about 85 %.
formyl chloride_.jpg)
Uses of (Dipropan-2-ylamino)formyl chloride: it is used to produce other chemicals. For example, it is used to produce N, N-Diisopropylcarbamidsaeure-(1-methyl-2-propenylester). This reaction needs reagent Pyridine. The reaction time is 12 hours with reaction temperature of 90 °C. The yield is about 90 %.
formyl chloride_.jpg)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may destroy living tissue on contact. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)N(C(C)C)C(C)C
(2) InChI: InChI=1/C7H14ClNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3
(3) InChIKey: RSAFAYLZKCYUQW-UHFFFAOYAB