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Key Documents

28684

Sigma-Aldrich

trans-Cyclobutane-1,2-dicarboxylic acid

≥97.0% (T)

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About This Item

Empirical Formula (Hill Notation):
C6H8O4
CAS Number:
Molecular Weight:
144.13
Beilstein:
3198993
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥97.0% (T)

form

solid

SMILES string

OC(=O)[C@@H]1CC[C@H]1C(O)=O

InChI

1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1

InChI key

SUSAGCZZQKACKE-QWWZWVQMSA-N

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General description

The interaction of the carboxyl groups in the fragmentation of the molecular ions of cis-cyclobutane-1,2-dicarboxylic acid helps to distinguish it from trans-cyclobutane-1,2-dicarboxylic acid.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

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

Certificates of Analysis (COA)

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Benoit F and Holmes JL.
Org. Mass Spectrom., 6(5), 541-548 (1972)

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