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Trichloroacetic anhydride 97%

CAT: 0286-T19185-01Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-T19185-01Size:10 g
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CAS Number
4124-31-6
Synonyms
Perchloroacetic anhydride
UN Code
UN3265
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00000793
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+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; 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

Trichloroacetic anhydride
CAS Number4124-31-6
PubChem CID20079
IUPAC Name(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
Molecular FormulaC4Cl6O3
Molecular Weight308.7
XLogP3.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity201
SMILES
C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey
MEFKFJOEVLUFAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trichloroacetic anhydride
CAS: 4124-31-6
CID: 20079
Formula: C4Cl6O3
MW: 308.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.7
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass307.794910
Monoisotopic Mass305.797860
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity201
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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