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Cas Database |
| Name |
Butanoic acid,4-chloro- |
EINECS | 210-977-7 |
| CAS No. | 627-00-9 | Density | 1.218 g/cm3 |
| PSA | 37.30000 | LogP | 1.09000 |
| Solubility | N/A | Melting Point |
12-16 °C(lit.) |
| Formula | C4H7ClO2 | Boiling Point | 310.6 °C at 760 mmHg |
| Molecular Weight | 122.551 | Flash Point | 101.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-45 | Risk Codes | 22-34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Butyricacid, 4-chloro- (6CI,7CI,8CI);4-Chlorobutanoic acid;4-Chlorobutyric acid;NSC6391;NSC 76578;g-Chlorobutyricacid; |
Article Data | 38 |
Butanoic acid,4-chloro- Synthetic route
| Conditions | Yield |
|---|---|
| [(cyclopentadienyl)bis(acetonitrile)(triphenylphosphine)ruthenium(II)] hexafluorophosphate In methanol at 25℃; for 12h; | 97% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; calcium chloride at 100℃; for 72h; | 80% |
| With hydrogenchloride | |
| With hydrogenchloride | |
| With hydrogenchloride; dodecatungstosilic acid In water at 20℃; under 760.051 Torr; for 2h; Reagent/catalyst; |
- 188290-36-0
thiophene
- 4635-59-0
4-Chlorobutanoyl chloride
A
- 627-00-9
γ-chlorobutyric acid
B
- 43076-59-1
4-chloro-1-(thien-2-yl)-1-butanone
| Conditions | Yield |
|---|---|
| aluminium trichloride; nitromethane In carbon disulfide for 3h; Ambient temperature; | A 17% B 75% |
| Conditions | Yield |
|---|---|
| With copper(II) sulfate at 240℃; for 1h; | 65% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite | |
| With hydrogenchloride; sodium nitrite |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 54634-49-0
N-nitroso-dihydro-2(3H)-pyrrolidinone
A
- 625-38-7
but-3-enoic acid
B
- 627-00-9
γ-chlorobutyric acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With nitric acid | |
| With chromium(VI) oxide; sulfuric acid |
- 28341-54-0
4-(4-nitrophenoxy)butanoic acid
- 627-00-9
γ-chlorobutyric acid
| Conditions | Yield |
|---|---|
| Verseifen des entstandenen γ-Chlor-butyronitrils mit konz.Salzsaeure unter Druck und Ueberfuehren der gebildeten Saeuren in γ-Butyrolacton,danach Addition von Chlorwasserstoff; |
Butanoic acid,4-chloro- Specification
The Butanoic acid,4-chloro- is an organic compound with the formula C4H7ClO2. The IUPAC name of this chemical is 4-chlorobutanoic acid. With the CAS registry number 627-00-9, it is also named as 4-Chloro-n-butyric Acid. The product's categories are omega-Chlorocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C1 to C5; Carbonyl Compounds; Carboxylic Acids.
Physical properties about Butanoic acid,4-chloro- are: (1)D/LogP: 0.70; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -2.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 26.99 cm3; (14)Molar Volume: 100.5 cm3; (15)Polarizability: 10.7×10-24cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.218 g/cm3; (18)Flash Point: 101.1 °C; (19)Enthalpy of Vaporization: 60.65 kJ/mol; (20)Boiling Point: 310.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000131 mmHg at 25°C.
Preparation of Butanoic acid,4-chloro-: this chemical can be prepared by dihydro-furan-2-one. This reaction will need reagent concentrated aqueous hydrochloric acid.
Uses of Butanoic acid,4-chloro-: it can be used to produce 4-chloro-butyryl chloride. It will need reagent thionyl chloride.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. 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: ClCCCC(=O)O
(2)InChI: InChI=1/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
(3)InChIKey: IPLKGJHGWCVSOG-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
(5)Std. InChIKey: IPLKGJHGWCVSOG-UHFFFAOYSA-N
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