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3,5-Dibromo-4-hydroxybenzonitrile

CAT: 0286-D09830-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-D09830-01Size:5 g
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CAS Number
1689-84-5
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00002153
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H317 May cause an allergic skin reaction; H333 May be harmful if inhaled; H335 May cause respiratory irritation; H361 Suspected of damaging fertility or the unborn child; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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; P308+P313 IF exposed or concerned: Get medical advice/attention; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P391 Collect spillage. Hazardous to the aquatic environment.

Chemical Information

Bromoxynil

Bromoxynil can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number1689-84-5
PubChem CID15531
IUPAC Name3,5-dibromo-4-hydroxybenzonitrile
Molecular FormulaC7H3Br2NO
Molecular Weight276.91
XLogP3.5
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity176
SMILES
C1=C(C=C(C(=C1Br)O)Br)C#N
InChI
InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey
UPMXNNIRAGDFEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoxynil
CAS: 1689-84-5
CID: 15531
Formula: C7H3Br2NO
MW: 276.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.91
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass276.85609
Monoisotopic Mass274.85814
Topological Polar Surface Area44 Ų
Heavy Atom Count11
Formal Charge0
Complexity176
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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