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Dimethyl Tetrachloroterephthalate

CAT: 0286-D45290Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D45290Size:25 g
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CAS Number
20098-41-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014902
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

Dimethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
CAS Number20098-41-3
PubChem CID251065
IUPAC Namedimethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Molecular FormulaC10H6Cl4O4
Molecular Weight332.0
XLogP4.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC
InChI
InChI=1S/C10H6Cl4O4/c1-17-9(15)3-4(10(16)18-2)6(12)8(14)7(13)5(3)11/h1-2H3
InChIKey
CXWWOTMXNBKMBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
CAS: 20098-41-3
CID: 251065
Formula: C10H6Cl4O4
MW: 332.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.0
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass331.899069
Monoisotopic Mass329.902019
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
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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