Products Categories
| CAS No.: | 3153-36-4 |
|---|---|
| Name: | ETHYL 4-CHLOROBUTYRATE |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11ClO2 |
| Molecular Weight: | 150.605 |
| Synonyms: | Butyricacid, 4-chloro-, ethyl ester (6CI,7CI,8CI);4-Chlorobutyric acid ethyl ester;Ethyl 4-chlorobutanoate;Ethyl 4-chlorobutyrate;Ethyl g-chlorobutyrate;Ethyl w-chlorobutyrate;NSC 81215;Ethyl gamma-chlorobutyrate; |
| EINECS: | 221-591-3 |
| Density: | 1.057 g/cm3 |
| Melting Point: | -70oC |
| Boiling Point: | 186 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Solubility: | insoluble in water |
| Appearance: | clear yellow to brownish liquid |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-22-10 |
| Safety: | 26-36-37/39-16 |
| Transport Information: | UN 1993 |
| PSA: | 26.30000 |
| LogP: | 1.56850 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With thionyl chloride for 16h; Heating; | 80% |
| With hydrogenchloride | |
| With hydrogenchloride |
- 1191-95-3
cyclobutanone
- 1801-77-0
oxovanadium(V) ethoxydichloride
- 3153-36-4
4-chloro-butyric acid ethyl ester
| Conditions | Yield |
|---|---|
| With lithium chloride In diethyl ether for 13h; Ambient temperature; | 43% |
- 3153-36-4
4-chloro-butyric acid ethyl ester
| Conditions | Yield |
|---|---|
| With trimethylsilyl trifluoromethanesulfonate; 4-tert-Butylcatechol; 2-methoxybenzo[d][1,3,2]dioxaborole; trans-di-O-tert-butyl hyponitrite In methanol; dichloromethane; benzene at 70℃; for 16h; Inert atmosphere; | 30% |
| Conditions | Yield |
|---|---|
| at 70℃; Geschwindigkeit der Umlagerung verschiedener Konz.; | |
| at 100℃; Geschwindigkeit der Umlagerung verschiedener Konz.; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride | |
| With sulfuric acid | |
| With hydrogenchloride | |
| With hydrogenchloride In dichloromethane at 8℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride zuletzt bei Siedetemperatur; |
- 14077-66-8
4-ethoxy-butyryl chloride
- 3153-36-4
4-chloro-butyric acid ethyl ester
| Conditions | Yield |
|---|---|
| at 100℃; | |
| at 100℃; | |
| at 50℃; Geschwindigkeit der Umlagerung; | |
| at 100℃; Geschwindigkeit der Umlagerung; |
- 10374-37-5
4-ethoxybutanoic acid
- 3153-36-4
4-chloro-butyric acid ethyl ester
| Conditions | Yield |
|---|---|
| With thionyl chloride | |
| Multi-step reaction with 2 steps 1: hydrogen; SOCl2 2: 100 °C / Geschwindigkeit der Umlagerung View Scheme | |
| Multi-step reaction with 2 steps 1: hydrogen; SOCl2 2: 100 °C View Scheme |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide |
- Total:16 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The IUPAC name of Ethyl 4-chlorobutyrate is Ethyl 4-chlorobutanoate. With the CAS registry number 3153-36-4, it is also named as Ethyl gamma-chlorobutyrate. The product's categories are Aromatic Esters; C6 to C7; Carbonyl Compounds; Esters. Besides, it is clear yellow to brownish liquid, which should be stored in a closed, cool and dry place. In addition, its molecular formula is C6H11ClO2 and molecular weight is 150.60. This chemical is also insoluble in water.
The other characteristics of this product can be summarized as: (1)EINECS: 221-591-3; (2)ACD/LogP: 1.70; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.7; (5)ACD/LogD (pH 7.4): 1.7; (6)ACD/BCF (pH 5.5): 11.44; (7)ACD/BCF (pH 7.4): 11.44; (8)ACD/KOC (pH 5.5): 199.2; (9)ACD/KOC (pH 7.4): 199.2; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 26.3 Å2; (14)Index of Refraction: 1.425; (15)Molar Refractivity: 36.47 cm3; (16)Molar Volume: 142.4 cm3; (17)Polarizability: 14.45×10-24cm3; (18)Surface Tension: 30.2 dyne/cm; (19)Density: 1.057 g/cm3; (20)Flash Point: 51.7 °C; (21)Enthalpy of Vaporization: 42.22 kJ/mol; (22)Boiling Point: 186 °C at 760 mmHg; (23)Vapour Pressure: 0.678 mmHg at 25 °C.
Preparation of Ethyl 4-chlorobutyrate: this chemical can be prepared by Dihydro-furan-2-one and Ethanol.
This reaction needs SOCl2 by heating. The reaction time is 16 hours. The yield is 80 %.
Uses of Ethyl 4-chlorobutyrate: this chemical is used in organic synthesis. Moreover, it can be used for producting 4-Iodo-butyric acid ethyl ester.
This reaction needs NaI and Butan-2-one by heating. The reaction time is 18 hours.
When you are using this chemical, please be cautious about it as the following: Ethyl 4-chlorobutyrate is flammable and harmful if swallowed. Please keep away from sources of ignition. Furthermore, this product is irritating to eyes, respiratory system and skin. You should 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.
People can use the following data to convert to the molecule structure.
(1)SMILES:ClCCCC(=O)OCC
(2)InChI:InChI=1/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
(3)InChIKey:OPXNFHAILOHHFO-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
(5)Std. InChIKey:OPXNFHAILOHHFO-UHFFFAOYSA-N