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Chloranil Practical Grade

CAT: 0286-C07810-01Size: 250 gDry Ice: NoHazardous: Yes
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CAT#:0286-C07810-01Size:250 g
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CAS Number
118-75-2
Synonyms
Tetrachloro-p-quinone; 2,3,5,6-Tetrachloro-p-benzoquinone; Spergon I; Tetrachloro-p-benzoquinone; 2,3,5,6-Tetrachloro-1,4-benzoquinone
UN Code
UN3077
Pictogram
07 - Irritant; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00001594
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; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Environmentally Hazardous Substance, Solid, N.O.S.
DOT Classification
Class 9
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; 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; P391 Collect spillage. Hazardous to the aquatic environment.

Chemical Information

Chloranil

Tetrachloro-1,4-benzoquinone is a member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. It has a role as a metabolite and an EC 2.7.1.33 (pantothenate kinase) inhibitor. It is a member of 1,4-benzoquinones and an organochlorine compound.

CAS Number118-75-2
PubChem CID8371
IUPAC Name2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Molecular FormulaC6Cl4O2
Molecular Weight245.9
XLogP3.4
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity277
SMILES
C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey
UGNWTBMOAKPKBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloranil
CAS: 118-75-2
CID: 8371
Formula: C6Cl4O2
MW: 245.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.9
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass245.862290
Monoisotopic Mass243.865240
Topological Polar Surface Area34.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity277
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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