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| CAS No.: | 1575-61-7 |
|---|---|
| Name: | 5-Chlorovaleryl chloride |
| Article Data: | 29 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8Cl2O |
| Molecular Weight: | 155.024 |
| Synonyms: | Valerylchloride, 5-chloro- (6CI,7CI,8CI);5-Chloropentanoyl chloride;5-Chlorovalericacid chloride;5-Chlorovaleroyl chloride;NSC 84182; |
| EINECS: | 216-403-1 |
| Density: | 1.183 g/cm3 |
| Boiling Point: | 188.9 °C at 760 mmHg |
| Flash Point: | 76.3 °C |
| Solubility: | reacts with water |
| Appearance: | clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 C, T
|
| Risk Codes: | 22-34-23 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 2.16090 |
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| Conditions | Yield |
|---|---|
| With thionyl chloride for 3h; Heating / reflux; | 97% |
| With thionyl chloride for 3h; Heating / reflux; | 97% |
| With thionyl chloride for 3h; Heating / reflux; | 97% |
- 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one
- 75-44-5
phosgene
- 108-99-6
3-Methylpyridine
- 1575-61-7
5-Chlorovaleroyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride | 81% |
- 638-29-9
n-valeryl chloride
A
- 61589-68-2
2-chloropentanoyl chloride
B
- 63480-12-6
4-chloropentanoyl chloride
C
- 1575-61-7
5-Chlorovaleroyl chloride
D
- 90631-23-5
3-chloro-valeryl chloride
| Conditions | Yield |
|---|---|
| With phenylchloroiodonium chloride In tetrachloromethane at 30℃; Product distribution; Mechanism; Irradiation; relative rate const., the correlation analysis, subst. phenylchloroiodonium chloride as reagents; | |
| With chlorine In neat (no solvent) Product distribution; Ambient temperature; liquid phase chlorination of the aliphatic C5-carboxylic acids and their chlorides, methyl esters and chloromethyl esters, relative reactivity of each hydrogen atoms; | |
| With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In tetrachloromethane Heating; Title compound not separated from byproducts; |
- 638-29-9
n-valeryl chloride
A
- 63480-12-6
4-chloropentanoyl chloride
B
- 1575-61-7
5-Chlorovaleroyl chloride
C
- 90631-23-5
3-chloro-valeryl chloride
| Conditions | Yield |
|---|---|
| With chlorine In benzene at 20℃; Product distribution; other solvents; |
- 7782-50-5
chlorine
- 638-29-9
n-valeryl chloride
A
- 61589-68-2
2-chloropentanoyl chloride
B
- 63480-12-6
4-chloropentanoyl chloride
C
- 1575-61-7
5-Chlorovaleroyl chloride
D
- 90631-23-5
3-chloro-valeryl chloride
| Conditions | Yield |
|---|---|
| at 20℃; im UV-Licht; | |
| at 125℃; im UV-Licht; |
- 7782-50-5
chlorine
- 638-29-9
n-valeryl chloride
- 71-43-2
benzene
A
- 61589-68-2
2-chloropentanoyl chloride
B
- 63480-12-6
4-chloropentanoyl chloride
C
- 1575-61-7
5-Chlorovaleroyl chloride
D
- 90631-23-5
3-chloro-valeryl chloride
| Conditions | Yield |
|---|---|
| at 20℃; im UV-Licht; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: concentrated aqueous hydrochloric acid 2: thionyl chloride View Scheme |
- 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one
- 75-44-5
phosgene
- 24044-24-4
1,3,4-trimethylimidazolidin-2-one
- 1575-61-7
5-Chlorovaleroyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one
- 75-44-5
phosgene
- 24307-26-4
mepiquat chloride
- 1575-61-7
5-Chlorovaleroyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
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Specification
The 5-Chlorovaleryl chloride, with the CAS registry number 1575-61-7 and EINECS registry number 216-403-1, is a kind of clear colourless to slightly yellow liquid. It belongs to the product categories of Miscellaneous Biochemicals and Acid Chlorides. And the molecular formula of the chemical is C5H8Cl2O.
The physical properties of 5-Chlorovaleryl chloride are as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.56; (6)ACD/BCF (pH 7.4): 15.56; (7)ACD/KOC (pH 5.5): 248.26; (8)ACD/KOC (pH 7.4): 248.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 34.94 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 13.85×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 42.51 kJ/mol; (21)Boiling Point: 188.9 °C at 760 mmHg; (22)Vapour Pressure: 0.586 mmHg at 25°C.
Uses of 5-Chlorovaleryl chloride: It can react with benzene to produce 5-chloro-1-phenyl-pentan-1-one. This reaction will need reagent AlCl3. The reaction time is 0.5 hours with temperature of 0°C, and the yield is about 89%.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and toxic by inhalation. It may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, or in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCC(Cl)=O
(2)InChI: InChI=1/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
(3)InChIKey: SVNNWKWHLOJLOK-UHFFFAOYAK
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02242, |