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4-Benzyloxyindole(CAS No. 20289-26-3)

4-Benzyloxyindole C15H13NO (cas 20289-26-3) Molecular Structure

20289-26-3 Structure

Identification and Related Records

【Name】
4-Benzyloxyindole
【Iupac name】
4-phenylmethoxy-1H-indole
【CAS Registry number】
20289-26-3
【Synonyms】
4-(Phenylmethoxy)-1H-indole
【EINECS(EC#)】
243-690-0
【Molecular Formula】
C15H13NO (Products with the same molecular formula)
【Molecular Weight】
223.27
【Inchi】
InChI=1/C15H13NO/c1-2-5-12(6-3-1)11-17-15-8-4-7-14-13(15)9-10-16-14/h1-10,16H,11H2
【Canonical SMILES】
C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3
【MOL File】
20289-26-3.mol

Chemical and Physical Properties

【Appearance】
white to off-white powder
【Density】
1.196 g/cm3
【Melting Point】
58-62℃
【Boiling Point】
411.6 oC at 760 mmHg
【Vapour】
1.31E-06mmHg at 25°C
【Refractive Index】
1.669
【Flash Point】
148.9 oC
【Computed Properties】
Molecular Weight:223.26982 [g/mol]
Molecular Formula:C15H13NO
XLogP3:3.5
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:3
Exact Mass:223.099714
MonoIsotopic Mass:223.099714
Topological Polar Surface Area:25
Heavy Atom Count:17
Formal Charge:0
Complexity:237
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:38

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Safty informations about?4-Benzyloxyindole (CAS NO.20289-26-3):
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.?
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant

【Transport】
OTH
【Specification】

Hangding and storage:
Handling: Avoid breathing dust,mist, vapor, or gas. Avoid contact with skin, eyes, and clothing.Keep container tightly closed. Avoid ingestion and inhalation.Wash clothing before reuse. Use with adequate ventilation.?
Storage: 4-Benzyloxyindole (CAS NO.20289-26-3) should be stored in a tightly closed container.Store in a cool, dry place.??

Use and Manufacturing

【Usage】

 4-Benzyloxyindole (CAS NO.20289-26-3) is an INDOLE derivative used as substrate-binding.

Supplier Location

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