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2-Phenylindole

2-Phenylindole structure

CAS No:
948-65-2
Formula:
C14H11N
Chemical Name:
2-Phenylindole
Synonyms:
1H-Indole,2-phenyl-;Indole,2-phenyl-;2-Phenyl-1H-indole;α-Phenylindole;2-Phenylindole;Stabilizer I;NSC 15776;2222571-82-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white to beige or slightly green powder

2-phenyl-1H-indole is a phenylindole.

2-Phenylindole Basic Attributes

Molecular Weight：

193.24400

Exact Mass：

193.24

EC Number：

213-436-3

UNII：

MQD44HV3P1

NSC Number：

15776

DSSTox ID：

DTXSID8061343

HScode：

2933990090

Characteristics

PSA：

15.79000

XLogP3：

3.8

Appearance：

off-white to yellowish powder

Density：

1.156 g/cm3

Melting Point：

190.5 °C

Boiling Point：

195-200 °C @ Press: 6 Torr

Flash Point：

176.6ºC

Refractive Index：

1.679

Water Solubility：

0.7 [ug/mL]

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R37/38; R41

safety instructions：

S26-S39

RTECS Number：

NM1272500

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335-H413

GHS Classification：

|Danger|H315 (95.12%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-phenylindole

2-Phenylindole Use and Manufacturing

Uses

Reactant for preparation of: 鈥?;Oxopyrrolidine analogs via iodine-catalyzed Markovnikov addition1鈥?;Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2鈥?;Organic light emitting diodes (OLEDs)3鈥?;Anti inflammatory agents4鈥?;Potential cyclooxygenase-1 (COX-1)/cyclooxygenase-2 (COX-2) inhibitors5鈥?;Agents for cancer and malaria therapy6鈥?;Antifungal and antibacterial agents7鈥?;Fluorescent probes8Reactant in:鈥?;Difluorohydroxylation reactions鈥犫€?;Mannich-type reactions鈥?127-18-4

Manufacturing Info：

1H-Indole, 2-phenyl-: ACTIVE

Computed Properties

Molecular Weight:193.24
XLogP3:3.8
Hydrogen Bond Donor Count:1
Rotatable Bond Count:1
Exact Mass:193.089149355
Monoisotopic Mass:193.089149355
Topological Polar Surface Area:15.8
Heavy Atom Count:15
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

N-Methylaniline

Hydrazine, phenyl-

Acrylonitrile

Triphenylphosphine

Benzene

Ammonia

N,N-Diethylaniline

Ethyl benzoate

o-Toluidine

Benzoyl chloride

Downstream Products

Benzoic acid

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