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| CAS No.: | 2873-74-7 |
|---|---|
| Name: | GLUTARYL DICHLORIDE |
| Article Data: | 42 |
| Molecular Structure: | |
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|
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| Formula: | C5H6Cl2O2 |
| Molecular Weight: | 169.007 |
| Synonyms: | Glutarylchloride (6CI,7CI,8CI);1,3-Bis(Chlorocarbonyl)propane;5-Chloro-5-oxopentanoylchloride;Glutaric acid dichloride;Glutaroyl chloride;Glutaroyl dichloride;Glutaryl dichloride;NSC 519867;Glutaryl chloride (7CI,8CI); |
| EINECS: | 220-711-1 |
| Density: | 1.319 g/cm3 |
| Boiling Point: | 217.8 °C at 760 mmHg |
| Flash Point: | 106.7 °C |
| Appearance: | clear colorless to yellow or red-brownish liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2922 8/PG 3 |
| PSA: | 34.14000 |
| LogP: | 1.68750 |
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- Total:30 Page 1 of 1 1
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Specification
The Pentanedioyl dichloride, with the CAS registry number 2873-74-7 and EINECS registry number 220-711-1, is also called Glutaric acid dichloride. It is a kind of clear colorless to yellow or red-brownish liquid, and belongs to the following product categories: Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C5H6Cl2O2.
The characteristics of Pentanedioyl dichloride are as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.2; (8)ACD/KOC (pH 7.4): 110.2; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 34.97 cm3; (15)Molar Volume: 128 cm3; (16)Polarizability: 13.86×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 106.7 °C; (20)Enthalpy of Vaporization: 45.42 kJ/mol; (21)Boiling Point: 217.8 °C at 760 mmHg; (22)Vapour Pressure: 0.13 mmHg at 25°C.
Uses of Pentanedioyl dichloride: It can react with methoxybenzene to produce 1,5-bis-(4-methoxy-phenyl)-pentane-1,5-dione. This reaction will need reagent AlCl3, and the yield is about 78%.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)CCCC(Cl)=O
(2)InChI: InChI=1/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
(3)InChIKey: YVOFTMXWTWHRBH-UHFFFAOYAI
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 350uL/kg (0.35mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0546489, |
| rat | LD50 | oral | 190uL/kg (0.19mL/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | National Technical Information Service. Vol. OTS0546489 |