4-Chloro-3-indolyl beta-D-galactopyranoside
Basic information
- CAS
135313-63-2- Standard SMILES
OCC1OC(Oc2c[nH]c3cccc(Cl)c23)C(O)C(O)C1O- InChIKey
KSDIRCXIOJIPAQ-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO6
- Average molar mass
- 329.73 g/mol
- Monoisotopic mass
- 329.0666149
Names & identifiers
- Preferred name
- 4-Chloro-3-indolyl beta-D-galactopyranoside
- IUPAC
- 2-[(4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 4-Chloro-3-indolyl beta-D-galactopyranoside
- Molecular formula
- C14H16ClNO6
- Molecular weight
- 329.73
Names & synonyms
4-Chloro-3-indolyl beta-D-galactopyranoside135313-63-2DTXSID20394438RefChem:291652DTXCID703452982-[(4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol4-Chloro-3-indolyl b-D-galactopyranosideSCHEMBL317412604-Chloro-1H-indol-3-yl hexopyranoside4-chloro-3-indolyl-beta-d-galactopyranosideRARECHEM AH BS 00304-Chloro-3-indolyl β-D-galactopyranoside
Show more names
4-Chloro-3-indoxyl-β-D-galactopyranoside4-chloro-3-indolyl B-D-galacto-*pyranoside4-CHLORO-3-INDOXYL-BETA-D-GALACTOPYRANOSIDE4-chloro-1H-indol-3-yl-β-D-Galactopyranoside4-Chloro-3-indolyl β-D-galactopyranoside ,98%β-D-Galactopyranoside, 4-chloro-1H-indol-3-yl4-Chloro-3-Indolyl-β-Galactopyranoside extrapure, 98%
Database identifiers
- CAS
135313-63-2- PubChem CID
- 3626840
- DTXSID
DTXSID20394438
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 630.2 · 630.2±55.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 12.8 · 12.80±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 29389090 · 29389090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29389090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-chloro-1H-indol-3-yl-β-D-Galactopyranoside has been used in the detection of coliforms, and as part of a patented indicator platform.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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