2-Bromobutanoic acid | CAS No. 80-58-0

2-Bromobutanoic acid

Basic Information

CAS Number

80-58-0

Molecular Formula

C4H7BrO2

Molecular Weight

167 g/mol

AD

Basic Physical Properties

Melting Point

−4 °C

Boiling Point

99-103 °C/10 mmHg

Density

1.567 g/mL at 25 °C

Water Solubility

66 g/L (20 ºC)

Flash Point

>230 °F

Solubility

water: soluble15 part

Refractive Index

n20/D 1.474(lit.)

Vapor Pressure

0.1±0.9 mmHg at 25°C

CCC(C(=O)O)Br

InChI

InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

InChIKey

YAQLSKVCTLCIIE-UHFFFAOYSA-N

LogP

1.2445000000000002

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

72.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H314H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Toxicity

LD50 orally in mice: 310 mg/kg (Morrison)

Synonyms & References

English

  • Butanoic acid, 2-bromo-
  • NSC 8024
  • alpha-Bromobutyric acid
  • 2-Bromobutyricacid
  • SB46762
  • SY233336
  • EINECS 201-294-5
  • Butyric acid, 2-bromo-
  • A-BROMOBUTYRIC ACID
  • Butyric acid, alpha-bromo-
  • ethyl bromoacetic acid
  • Q209315
  • MFCD00004216
  • EPA Method 552.3 2-Bromobutanoic Acid 10000 microg/mL in Methyl tert-butyl ether
  • MFCD00210112
  • 2-Bromobutyric acid, 97%
  • EN300-19244
  • .ALPHA.-BROMOBUTYRIC ACID, (+/-)-
  • A816940
  • .alpha.-Bromobutyric acid
  • bromobutyric acid
  • Butyric acid, .alpha.-bromo-
  • S-2--bromobutyricacid
  • DTXSID90861642
  • DL-.ALPHA.-BROMOBUTYRIC ACID
  • AKOS016039402
  • .alpha.-Bromobytyric acid
  • 2-Bromobutanoicacid
  • (+/-)-.ALPHA.-BROMOBUTANOIC ACID
  • FT-0611544
  • FT-0663389

MDL Number

MFCD00004216

Customs Code

29349990

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