Cas no 2623-86-1 (3-bromobutyric acid)

3-bromobutyric acid structure
3-bromobutyric acid structure
Product Name:3-bromobutyric acid
CAS No:2623-86-1
MF:C4H7BrO2
MW:167.001180887222
CID:84421
PubChem ID:102860
Update Time:2025-04-18

3-bromobutyric acid Chemical and Physical Properties

Names and Identifiers

    • 3-bromobutyric acid
    • 3-bromobutanoic acid
    • 3-Brom-buttersaeure
    • butanoic acid,3-bromo
    • SY345517
    • 3-Bromobutanoic acid #
    • Q223055
    • FT-0696044
    • SCHEMBL364463
    • MFCD00053318
    • 3-PYRIDIN-4-YL-PROPIONICACID
    • EN300-147305
    • EINECS 220-082-3
    • 3-Bromobutanoicacid
    • AKOS017342914
    • 2623-86-1
    • J-016341
    • FT-0615215
    • butanoic acid, 3-bromo-
    • 3-Bromobutyric acid, >=95.0% (GC)
    • NS00047994
    • CS-0234784
    • G59920
    • MDL: MFCD00053318
    • Inchi: 1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
    • InChI Key: HAIUIAZIUDPZIE-UHFFFAOYSA-N
    • SMILES: BrC(C)CC(=O)O

Computed Properties

  • Exact Mass: 165.96300
  • Monoisotopic Mass: 165.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 72.1
  • 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: 0.9
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: Pale yellow liquid
  • Density: 1.57?g/mL?at 20?°C(lit.)
  • Boiling Point: 230.5°Cat760mmHg
  • Flash Point: Fahrenheit: 237.2 ° f < br / > Celsius: 114 ° C < br / >
  • Refractive Index: n20/D 1.476
  • PSA: 37.30000
  • LogP: 1.24450
  • Solubility: Not available

3-bromobutyric acid Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3265 8/PG 3
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S45-S36-S37-S39
  • FLUKA BRAND F CODES:13-19
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R34

3-bromobutyric acid Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

3-bromobutyric acid Pricemore >>

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