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Merck
CN

12351

(S)-1,4-Benzodioxane-2-carboxylic acid

≥97.0% (sum of enantiomers, GC)

Synonym(s):

(S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C9H8O4
CAS Number:
70918-54-6
Molecular Weight:
180.16
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
57646994
MDL number:
MFCD00239408
Beilstein/REAXYS Number:
5742836

Key Documents

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InChI

1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m0/s1

SMILES string

OC(=O)[C@@H]1COc2ccccc2O1

InChI key

HMBHAQMOBKLWRX-QMMMGPOBSA-N

assay

≥97.0% (sum of enantiomers, GC)

optical activity

[α]20/D −83±2°, c = 1.5% in chloroform

optical purity

enantiomeric ratio: ≥98.5:1.5

mp

96-99 °C

target_organs

Respiratory system

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBP3627V
1399831V
1399831
1341709
1344563

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Christian D Young et al.
Molecular & cellular proteomics : MCP, 14(7), 1959-1976 (2015-05-09)
Mutations in PIK3CA, the gene encoding the p110α catalytic subunit of phosphoinositide 3-kinase (PI3K) have been shown to transform human mammary epithelial cells (MECs). These mutations are present in all breast cancer subtypes, including basal-like breast cancer (BLBC). Using liquid

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