Butyryl chloride

Base Information

• Chemical Name: Butyryl chloride
• CAS No.: 141-75-3
• Molecular Formula: C4H7ClO
• Molecular Weight: 106.552
• Hs Code.: 2915 90 70
• European Community (EC) Number: 205-498-5
• UN Number: 2353
• UNII: 2XVM8E16IR
• DSSTox Substance ID: DTXSID5024710
• Nikkaji Number: J2.538K
• Wikipedia: Butyryl_chloride
• Wikidata: Q5003202
• ChEMBL ID: CHEMBL1300263
• Mol file: 141-75-3.mol

Synonyms:Butyryl chloride;Butanoyl chloride;141-75-3;N-BUTYRYL CHLORIDE;Butyrylchloride;Butyric acid chloride;Butyric chloride;Butyroyl chloride;CCRIS 5989;HSDB 6016;n-Butyric acid chloride;EINECS 205-498-5;UN2353;UNII-2XVM8E16IR;BUTYRYL-D7 CHLORIDE;2XVM8E16IR;DTXSID5024710;EC 205-498-5;1219805-71-6;butryl chloride;butyroylchloride;n-PrCOCl;Cloruro de Butanoil;butanoic acid chloride;methylpropionyl chloride;BUC (CHRIS Code);Butyryl chloride, 98%;N-BUTANOYL CHLORIDE;SCHEMBL2819;Butyryl chloride, >=99%;propanecarboxylic acid chloride;DTXCID104710;CHEMBL1300263;N-BUTYRYL CHLORIDE [MI];N-BUTYRYL CHLORIDE [HSDB];Tox21_200294;BBL011417;LS-830;MFCD00000752;NA2353;STL146523;AKOS000121193;JC10140;UN 2353;NCGC00091749-01;NCGC00091749-02;NCGC00257848-01;CAS-141-75-3;VS-02944;B0770;FT-0623352;EN300-19257;Butyryl chloride [UN2353] [Flammable liquid];Butyryl chloride [UN2353] [Flammable liquid];J-007549;J-519977;Q5003202;F2190-0011

Chemical Property of Butyryl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid with a sharp odor
• Vapor Pressure: 32.9mmHg at 25°C
• Melting Point: -89 °C
• Refractive Index: 1.4120
• Boiling Point: 102.9 °C at 760 mmHg
• Flash Point: 21.7 °C
• PSA: 17.07000
• Density: 1.033 g/cm³
• LogP: 1.55190
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• Solubility.: Miscible with ether.
• Water Solubility.: decomposes
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 106.0185425
• Heavy Atom Count: 6
• Complexity: 51.5
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Butyryl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-23-26-36-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: CCCC(=O)Cl
• Uses: Butyryl chloride is used as an intermediate for the synthesis of active pharmaceutical ingredients benzoyl peroxide, t-butyl perbenzoate, and benzophenone. It is also used as an acylation reagent. Further, it is used in the preparation of peroxides such as benzoyl peroxide, benzophenone and t-butyl perbenzoate. In addition to this, it is involved in the preparation of chromones and antiproliferative agents. Butyryl chloride has been used to esterify wood meal dissolved in the ionic liquid, 1-butyl-3-methylimidazolium chloride. Butyryl chloride has been used to esterify wood meal dissolved in the ionic liquid, 1-butyl-3-methylimidazolium chloride.

Technology Process of Butyryl chloride

There total 19 articles about Butyryl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

→ butyryl chloride (141-75-3)

Guidance literature:

Reference yield: 92.0%

butyric acid (107-92-6) → butyryl chloride (141-75-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 100 - 102 ℃; for 9h;

Reference yield: 67.0%

butyric acid (107-92-6) → butanoic acid anhydride (106-31-0) + butyryl chloride (141-75-3)

Guidance literature:

With phosphorus trichloride; at 40 - 50 ℃; 4-5h;

DOI:10.1007/BF00960670

upstream raw materials:

benzoyl chloride

butyric acid

tetrachloromethane

butyraldehyde

Downstream raw materials:

1-methyl-3-piperidinyl butyrate

1-(furan-2-yl)butan-1-one

2-butyrylthiophene

butyric acid-(2,4-dimethyl-phenyl ester)

Refernces

• 1、 Kyrides. "-". . p. 208. Retrieved 1937.
• 2、 Tian, Hao,Xu, Yiren,Liu, Shaojin,Jin, Dingsha,Zhang, Jianjun,Duan, Liusheng,Tan, Weiming. "Synthesis of gibberellic acid derivatives and their effects on plant growth". . . Retrieved 2017.
• 3、 Li, Weina,Li, Yan,Yin, Xianpeng,Liang, Yun,Li, Jian,Wang, Chen,Lan, Yue,Wang, Hui,Ju, Yong,Li, Guangtao. "Azobenzene-bridged bile acid dimers: An interesting class of conjugates with conformation-controlled bioactivity". . p. 2539 - 2543. Retrieved 2016.
• 4、 Ma, Jiao-Xia,Fang, Xu,Xue, Min,Yang, Yong. "Synthesis, structure, and anion binding of functional oxacalix[4]arenes". . p. 5075 - 5085. Retrieved 2019.
• 5、 Wang, Maw-Ling,Ou, Chin-Chou,Jwo, Jing-Jer. "Study of the Pyridine 1-oxide-Catalyzed Two-Phase Reversible Exchange Reaction of Benzoyl Chloride and Butanoate Ion". . p. 2949 - 2955. Retrieved 1994.
• 6、 Aziz, Hamid,Saeed, Aamer,Khan, Muhammad Aslam,Afridi, Shakeeb,Jabeen, Farukh. "Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides". . p. 763 - 776. Retrieved 2020/03/04.