6-(benzyloxy)-1H-indole-3-carbaldehyde
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Basic information
- CAS
92855-64-6- Standard SMILES
O=Cc1c[nH]c2cc(OCc3ccccc3)ccc12- InChIKey
UUKFCVCTRWNXBI-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 6-(benzyloxy)-1H-indole-3-carbaldehyde
- IUPAC
- 6-phenylmethoxy-1H-indole-3-carbaldehyde
- English name
- 6-Benzyloxyindole-3-carboxaldehyde
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
92855-64-66-(benzyloxy)-1H-indole-3-carbaldehydeDTXSID50621502RefChem:306717DTXCID40572256828-542-06-BENZYLOXYINDOLE-3-CARBALDEHYDE6-Benzyloxyindole-3-carboxaldehydeMFCD000569316-phenylmethoxy-1H-indole-3-carbaldehyde6-benzyloxy-1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 6-(phenylmethoxy)-
Show more names
Zinc025162976-Benzyloxy-6-BENZYLOXYINDOLE-3-ALDEHYDE6-benzyloxyindole-3-methylaldehyde6-Benzyloxyindole-3-carboxaldehyde 98%6-Benzyloxy-1H-indole-3-carboxaldehyde
SCHEMBL1418239SCHEMBL29951517UUKFCVCTRWNXBI-UHFFFAOYSA-NALBB-035503SBB067557STK931234AKOS0052591266-(phenylmethoxy)indole-3-carbaldehyde
Database identifiers
- CAS
92855-64-6- PubChem CID
- 22014791
- DTXSID
DTXSID50621502- EC Number
- 828-542-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 215 · 215-216 °C
- Boiling point
- 474.2 · 474.2±30.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 15.67 · 15.67±0.30(Predicted)
- Appearance
- Light yellow to khaki Solid
- CAS DataBase Reference
- 92855 · 92855-64-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- Hazard Note
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 36/37
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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