Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-chlorobutyrate |
EINECS | 221-592-9 |
CAS No. | 3153-37-5 | Density | 1.12 g/mL at 25 °C(lit.) |
PSA | 26.30000 | LogP | 1.17840 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C5H9ClO2 | Boiling Point | 175-176 °C(lit.) |
Molecular Weight | 136.578 | Flash Point | 139 °F |
Transport Information | UN 3272 | Appearance | clear colourless liquid |
Safety | 37/39-26 | Risk Codes | 36/27/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methyl 4-chlorobutyrate;Butyricacid, 4-chloro-, methyl ester (7CI,8CI);4-Chlorobutanoic acid methyl ester;4-Chlorobutyric acid methyl ester;Methyl 4-chlorobutanoate;Methyl4-chlorobutyrate;Methyl g-chlorobutyrate;Methyl w-chlorobutyrate;NSC 66271;g-Chlorobutyric acid methyl ester; |
Article Data | 30 |
Conditions | Yield |
---|---|
Stage #1: 4-butanolide With dichlorotriphenoxyphosphorane In dichloromethane at -5 - 0℃; Stage #2: methanol In dichloromethane at 45 - 50℃; Temperature; | 93.1% |
Conditions | Yield |
---|---|
With pyridine at 25℃; for 18h; | 77% |
5-chloro-2-pentanone
acetic anhydride
A
methyl 4-chlorobutyrate
B
methyl 3-chloropropionate
Conditions | Yield |
---|---|
With oxygen; manganese(III) triacetate dihydrate at 90℃; under 3750.38 Torr; for 10h; Autoclave; | A 76% B 14% |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With sulfuric acid; benzene | |
With sulfuric acid |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogenchloride; zinc(II) chloride anfangs unter Eiskuehlung, zuletzt bei Siedetemperatur; |
butanoic acid methyl ester
A
2-chloropropyl methyl ester
B
methyl 4-chlorobutyrate
Conditions | Yield |
---|---|
With N-chloropiperidine; 2,2'-azobis(isobutyronitrile) In trifluoroacetic acid at 30℃; Product distribution; Rate constant; Irradiation; relative rate constants, position selectivity, substrate selectivity; | |
With chlorine Irradiation.mit UV-Licht; |
Conditions | Yield |
---|---|
With chlorine Irradiation.Dampfphase; UV-Licht; |
4-methoxy-butyryl chloride
methyl 4-chlorobutyrate
Conditions | Yield |
---|---|
3-stdg. Erwarmen auf dem Dampfbad; |
This chemical is called Butanoic acid, 4-chloro-, methyl ester, and its CAS registry number is 3153-37-5. With the molecular formula of C5H9ClO2, its molecular weight is 136.58. Additionally, its product categories are Aromatic Esters; C2 to C5; Carbonyl Compounds; Esters. It should be sealed in the cool and dry place.
Other characteristics of the Butanoic acid, 4-chloro-, methyl ester can be summarised as followings: (1)XLogP3: 1.3; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 4; (5)Exact Mass: 136.029107; (6)MonoIsotopic Mass: 136.029107; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 8; (9)Formal Charge: 0; (10)Complexity: 72.8; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Acceptor Count: 1; (13)Effective Rotor Count: 4; (14)Conformer Sampling RMSD: 0.6; (15)CID Conformer Count: 23.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
2.Smiles: O=C(OC)CCCCl