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28682

Sigma-Aldrich

cis-Cyclobutane-1,2-dicarboxylic acid

≥97.0% (T)

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About This Item

Empirical Formula (Hill Notation):
C6H8O4
CAS Number:
1461-94-5
Molecular Weight:
144.13
Beilstein:
2047669
MDL number:
MFCD00019263
UNSPSC Code:
12352100
PubChem Substance ID:
57648318
NACRES:
NA.22

Quality Level

100

Assay

≥97.0% (T)

form

solid

mp

133-139 °C

functional group

carboxylic acid

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+

InChI key

SUSAGCZZQKACKE-ZXZARUISSA-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

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

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
BCBV3313
BCBG4033V
BCBG1059V
1335999V
BCBD0503V

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

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