Cas no 5856-79-1 (Butanoyl chloride, 2-methyl-)

Butanoyl chloride, 2-methyl- structure
Butanoyl chloride, 2-methyl- structure
Product Name:Butanoyl chloride, 2-methyl-
CAS No:5856-79-1
MF:C5H9ClO
MW:120.577360868454
CID:341619
PubChem ID:93697
Update Time:2025-04-19

Butanoyl chloride, 2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Butanoyl chloride, 2-methyl-
    • DL-2-METHYLBUTYRYL CHLORIDE
    • 2-ethylpropanoyl chloride
    • 2-methyl butyryl chloride
    • 2-methylbutanoyl chloride
    • 2-methyl-butyric acid chloride
    • 2-METHYLBUTYROYL CHLORIDE
    • chlorure de l'acide (D,L)-2-methylbutyrique
    • DTXSID70872039
    • 5856-79-1
    • AKOS009158813
    • Butanoyl chloride, 2-methyl-, (.+/-.)-
    • FT-0671576
    • SCHEMBL505184
    • (R)-2-MethylbutyricAcidChloride-d3
    • 57526-28-0
    • (+/-)-2-Methylbutyryl chloride
    • EINECS 260-787-3
    • (RS)-2-Methylbutyryl chloride
    • 1219795-10-4
    • InChI=1/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3
    • MFCD00041726
    • (+)-2-methyl butanoyl chloride
    • (+)-2-methylbutanoic acid chloride
    • 2-Methylbutyryl chloride, 97%
    • 2-Methylbutyryl chloride
    • DL-2-Methylbutyrylchloride
    • 2-methyl-butyryl chloride
    • NS00052808
    • Ethylmethylacetylchloride
    • (R)-2-Methylbutyric Acid Chloride-d3
    • XRPVXVRWIDOORM-UHFFFAOYSA-
    • FT-0624374
    • Dl-2-Methyl-Butyryl Chloride
    • 2-METHYLBUTYRYL-D9 CHLORIDE
    • 2-Methylbutanoyl chloride #
    • FT-0613031
    • Inchi: 1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3
    • InChI Key: XRPVXVRWIDOORM-UHFFFAOYSA-N
    • SMILES: ClC(C(C)CC)=O

Computed Properties

  • Exact Mass: 120.03400
  • Monoisotopic Mass: 120.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 70.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.2
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: Transparent colorless to yellowish liquid
  • Density: 0.972?g/mL?at 25?°C(lit.)
  • Boiling Point: 117-121?°C(lit.)
  • Flash Point: 68?°F
  • Refractive Index: n20/D 1.418(lit.)
  • PSA: 17.07000
  • LogP: 1.79790

Butanoyl chloride, 2-methyl- Security Information

  • Hazardous Material transportation number:UN 2924 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-34
  • Safety Instruction: S16; S26; S36/37/39; S45
  • Hazardous Material Identification: F C
  • Storage Condition:Cold storage (+4 ° C) + flammable area
  • Risk Phrases:R11; R34
Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.