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CAS No.: | 141-75-3 |
---|---|
Name: | Butyryl chloride |
Article Data: | 125 |
Molecular Structure: | |
Formula: | C4H7ClO |
Molecular Weight: | 106.552 |
Synonyms: | Butyrylchloride (6CI,7CI,8CI);2-Ethylacetyl chloride;Butyric acid chloride;Butyricchloride;n-Butanoyl chloride;n-Butyroyl chloride;Butanoylchloride; |
EINECS: | 205-498-5 |
Density: | 1.033 g/cm3 |
Melting Point: | -89 °C |
Boiling Point: | 102.9 °C at 760 mmHg |
Flash Point: | 21.7 °C |
Solubility: | Decomposes in water |
Appearance: | clear colorless liquid with a sharp odor |
Hazard Symbols: | F,C |
Risk Codes: | 11-34 |
Safety: | 16-23-26-36-45 |
Transport Information: | UN 2353 3/PG 2 |
PSA: | 17.07000 |
LogP: | 1.55190 |
Conditions | Yield |
---|---|
With thionyl chloride; N,N-dimethyl-formamide In toluene at 100 - 102℃; for 9h; | 92% |
With thionyl chloride In N,N-dimethyl-formamide Reflux; | 90.9% |
With thionyl chloride for 0.5h; Heating; | 86% |
Conditions | Yield |
---|---|
With phosphorus trichloride at 40 - 50℃; 4-5h; | A n/a B 67% |
With phosphorus trichloride at 40 - 50℃; 4-5h; | A 10.54% B 49.3% |
trimethylsilyl butyrate
chlorosulfonate de trimethylsilyle
A
2-(Trimethylsiloxysulfonyl)-butansaeure-trimethylsilylester
B
butyryl chloride
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane for 12h; Heating; | A 62% B n/a |
Conditions | Yield |
---|---|
56% |
Conditions | Yield |
---|---|
durch Destillation; |
tetrachloromethane
butyraldehyde
A
hexachloroethane
B
2-ethylhexenal
C
butyryl chloride
Conditions | Yield |
---|---|
bei der Einwirkung von γ-Strahlen; |
Conditions | Yield |
---|---|
With zinc(II) chloride at 70 - 80℃; |
Conditions | Yield |
---|---|
durch Destillation; |
Conditions | Yield |
---|---|
aluminium trichloride; Pd(Ph3)3(Cl)(COCH3)+AlCl3 In chloroform-d1 at 50℃; for 168h; Product distribution; variation of calyst; |
Molecular Structure of n-Butyryl chloride (CAS NO.141-75-3):
IUPAC Name: Butanoyl chloride
Canonical SMILES: CCCC(=O)Cl
InChI: InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey: DVECBJCOGJRVPX-UHFFFAOYSA-N
Molecular Weight: 106.55078 [g/mol]
Molecular Formula: C4H7ClO
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 205-498-5
Appearance: clear colorless liquid with a sharp odor
Melting Point: -89 °C(lit.)
storage temp.: Flammables area
Water Solubility: decomposes
FreezingPoint: -89 °C
Sensitive: Moisture Sensitive
Index of Refraction: 1.408
Molar Refractivity: 25.45 cm3
Molar Volume: 103 cm3
Surface Tension: 26.9 dyne/cm
Density: 1.033 g/cm3
Flash Point: 21.7 °C
Enthalpy of Vaporization: 34.21 kJ/mol
Boiling Point: 102.9 °C at 760 mmHg
Vapour Pressure: 32.9 mmHg at 25 °C
Product Categories: Pharmaceutical Intermediates; Organics; Acid Halides; Carbonyl Compounds; Organic Building Blocks
n-Butyryl chloride (CAS NO.141-75-3) is used as an intermediate for organic synthesis for the preparation of pharmaceuticals, agrochemicals, cellulose eaters, dyes, and peroxide compounds. It is used as a herbicide intermediate for sSethoxydim, tralkoxydim and cycloxydim.
Safety Information of n-Butyryl chloride (CAS NO.141-75-3):
Hazard Codes:F ,C
Risk Statements:11-34
11:Highly Flammable
34:Causes burns
Safety Statements:16-23-26-36-45
16:Keep away from sources of ignition - No smoking
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR:UN 2353 3/PG 2
WGK Germany:1
F:13
HazardClass:3
PackingGroup:II
n-Butyryl chloride (CAS NO.141-75-3), its Synonyms are Butanoyl chloride ; Butyric acid chloride ; Butyric chloride ; Butyroyl chloride ; Butanoyl chloride .