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17383

Sigma-Aldrich

Benzene-1,3,5-triacetic acid

≥97.0% (T)

Synonym(s):

1,3,5-Tris(carboxymethyl)benzene

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About This Item

Empirical Formula (Hill Notation):
C12H12O6
CAS Number:
4435-67-0
Molecular Weight:
252.22
Beilstein:
9300288
MDL number:
MFCD03095533
UNSPSC Code:
12352100
PubChem Substance ID:
57647650
NACRES:
NA.22

Assay

≥97.0% (T)

form

powder

functional group

carboxylic acid

SMILES string

OC(=O)Cc1cc(CC(O)=O)cc(CC(O)=O)c1

InChI

1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)

InChI key

AJEIBHNKBLRDNT-UHFFFAOYSA-N

Related Categories

Other Notes

Building block and core molecule for generating diverse libraries in combinatorial chemistry; preparation of giant propeller molecules

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC4700V
1437232V
1437232
1424922
063668/1

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