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5-Benzyloxyindole(CAS No. 1215-59-4)

5-Benzyloxyindole C15H13NO (cas 1215-59-4) Molecular Structure

1215-59-4 Structure

Identification and Related Records

【Name】
5-Benzyloxyindole
【Iupac name】
5-phenylmethoxy-1H-indole
【CAS Registry number】
1215-59-4
【Synonyms】
bis-hydroxyethyl-p-aniline sulphate
bredreck`s
5-(Phenylmethoxy)-1H-indole
5-benzyloxy-indol
Benzyloxy-5 indole
Indole, 5-(benzyloxy)-
TIMTEC-BB SBB003331
BENZYLOXYINDOLE(5-)
5-BENZYLOXY-1H-INDOLE
【EINECS(EC#)】
214-930-1
【Molecular Formula】
C15H13NO (Products with the same molecular formula)
【Molecular Weight】
223.27
【Inchi】
InChI=1/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
【InChIKey】
JCQLPDZCNSVBMS-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
【MOL File】
1215-59-4.mol

Chemical and Physical Properties

【Appearance】
white to off-white crystalline powder
【Density】
1.196 g/cm3
【Melting Point】
96-102℃
【Boiling Point】
411.6 °C at 760 mmHg
【Vapour】
1.31E-06mmHg at 25°C
【Refractive Index】
1.669
【Flash Point】
148.9 °C
【Solubilities】
Insoluble
【Color/Form】
white to light yellow
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:223.26982 [g/mol]
Molecular Formula:C15H13NO
XLogP3:3.6
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:29

Safety and Handling

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

Irritant

【Transport】
25kgs

Supplier Location

Top Suppliers

Diamond member chengdu yancey import& export trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-153-73023168
Diamond member Hangzhou Dayangchem Co., Ltd.
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Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
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Business Type:Trading Company
Telephone:86-312-18103315327
Diamond member AOPHARM
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Telephone:86-311-66600578
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Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
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Telephone:86-25-83697070
Diamond member Hangzhou J&H Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-571-87396430
Finetech Industry limited.
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Business Type:Manufacturer
Telephone:86-27-87465837
Wuhan Haizheng Industry & Trade Development Co. Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-88660577

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