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

Properties

• 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
• SMILES string: OC(=O)[C@@H]1COc2ccccc2O1
• 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
• InChI key: HMBHAQMOBKLWRX-QMMMGPOBSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves