1-Methyl-2-phenylindole (HCID 77095)

Names & identifiers

Preferred name: 1-Methyl-2-phenylindole
IUPAC: 1-methyl-2-phenylindole
English name: 1-Methyl-2-phenylindole
Molecular formula: C15H13N
Molecular weight: 207.27

Names & synonyms

1-Methyl-2-phenylindole3558-24-51H-Indole, 1-methyl-2-phenyl-2-Phenyl-N-methylindoleN-Methyl-2-phenylindoleIndole, 1-methyl-2-phenyl-IE3UB978IADTXSID5063073NSC-63793RefChem:830402DTXCID1039054222-618-1

Show more names

1-Methyl-2-Phenylindol1-Methyl-2-phenylindole>1-methyl-2-phenyl-1h-indol2-Phenyl-1-methyl-1H-indole

1-Methyl-2-phenyl-1H-indoleMFCD00022892NSC 637931-methyl-2-phenyl-indoleUNII-IE3UB978IA1-methyl-2-phenyl-1H-indolSTK202660AKOS001426229

Database identifiers

CAS: 3558-24-5
PubChem CID: 77095
DTXSID: DTXSID5063073
ChEMBL: CHEMBL1545735
UNII: IE3UB978IA
EC Number: 222-618-1
Nikkaji: J151.179C

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 232

Experimental & physicochemical properties

Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 98 · 98-100 °C (lit.)
Boiling point: 336.3 °C · 336.3°C (rough estimate)
Density: 1.088 · 1.0880 (rough estimate)
refractive index: 1.572 · 1.5720 (estimate)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: White to Light yellow
BRN: 148770 · 148770
InChI: InChI=1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey: SFWZZSXCWQTORH-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C=C1C1=CC=CC=C1
CAS DataBase Reference: 3558 · 3558-24-5(CAS DataBase Reference)
FDA UNII: 3 UB978IA · IE3UB978IA
EPA Substance Registry System: 1 H-Indole, · 1H-Indole, 1-methyl-2-phenyl- (3558-24-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Indole, 1-methyl-2-phenyl-: ACTIVE

Applications · 2 items

UsesReactant for preparation of: Cyano indolesDifluorohydroxy indolesReactant for:Carboxylation of indolesAllylation of indolesFormylation of indolesNitrosylation of indoles

General DescriptionReaction of 1-methyl-2-phenylindole with nitrogen dioxide or with nitrous acid (NaNO2-CH3COOH) in benzene has been studied. 1-Methyl-2-phenylindole is reported to react with malondialdehyde (MDA) and 4-hydroxyalkenals to afford a stable chromophore with intense maximal absorbance at 586nm.

Upstream & downstream products

Upstream raw materials

Downstream products

BASIC RED 29 BASIC RED 29 sodium hydrogen -2-ethoxy-5-[[4-[[4-[(4-ethoxy-3-sulphonatophenyl)amino]phenyl]-(1H-indol-3-yl-1-methyl-2-phenyl)methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate sodium hydrogen -2-hydroxy-5-[[4-[[4-[(4-hydroxy-3-sulphonatophenyl)amino]phenyl](1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate 3-(dicyclohexylphosphino)-1-methyl-2-phenyl-1H-indole

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

12 records

New reaction record

HRID 48901As productuspto-grants-2004_03

HRID 160865As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 212414As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 436233As reactantuspto-grants-1977_02

HRID 547970As reactantuspto-grants-2011_05

HRID 547979As reactantuspto-grants-2011_05

HRID 590977As reactantuspto-grants-2016_01

HRID 644100As reactantuspto-grants-2010_04

Linked notes

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Basic information