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2-Bromobutyric acid 98%

CAT: 0286-B19365-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-B19365-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80-58-0
UN Code
UN3265
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00004216
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Corrosive Liquid, Acidic, Organic, N.O.S.
DOT Classification
Class 8
Packaging Group
PGII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Bromobutanoic acid
CAS Number80-58-0
PubChem CID6655
IUPAC Name2-bromobutanoic acid
Molecular FormulaC4H7BrO2
Molecular Weight167.00
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
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
Chemical Structure
2D Structure
2D structure of 2-Bromobutanoic acid
CAS: 80-58-0
CID: 6655
Formula: C4H7BrO2
MW: 167.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.00
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.96294
Monoisotopic Mass165.96294
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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