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M-Bromobenzoic acid 97%

CAT: 0286-B18810-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
585-76-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002487
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; 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

3-Bromobenzoic acid

3-bromobenzoic acid is a bromobenzoic acid carrying a single bromo subsituent at the 3-position.

CAS Number585-76-2
PubChem CID11456
IUPAC Name3-bromobenzoic acid
Molecular FormulaC7H5BrO2
Molecular Weight201.02
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C1=CC(=CC(=C1)Br)C(=O)O
InChI
InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
VOIZNVUXCQLQHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromobenzoic acid
CAS: 585-76-2
CID: 11456
Formula: C7H5BrO2
MW: 201.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.02
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass199.94729
Monoisotopic Mass199.94729
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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