1-메틸-2-페닐인돌

1-메틸-2-페닐인돌 · N-METHYL-2-PHENYLINDOLE · 1-METHYL-2-PHENYL-1H-INDOLE · 1H-Indole, 1-methyl-2-phenyl- · NSC 63793 · 1-Methyl-2-Phenylindol · 2-Phenyl-N-methylindole · 1-METHYL-2-PHENYLINDOLE

https://huagongshe.com/ko/chemical/77095

식별자 및 물리적 특성

CAS No.	3558-24-5
분자식	C15H13N
평균 분자량	207.27 g/mol
단동위원소 질량	207.10479942 g/mol
SMILES	Cn1c(-c2ccccc2)cc2ccccc21
InChIKey	SFWZZSXCWQTORH-UHFFFAOYSA-N
PubChem CID	77095
ChEMBL	CHEMBL1545735
EC No.	222-618-1
DTXSID	DTXSID5063073
현지명	1-메틸-2-페닐인돌

화학 및 물리적 성질

XLogP	4.1
극성 표면적	4.9
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	1
무거운 원자 수	16
형식 전하	0
복잡도	232
용해도	0.6 [ug/mL] (The mean of the results at pH 7.4)
녹는점	98-100 °C (lit.)
끓는 점	336.3°C (rough estimate)
밀도	1.0880 (rough estimate)
굴절률	1.5720 (estimate)
저장 조건	2-8°C
물리적 상태	powder to crystal
색상	흰색에서 밝은 노란색
BRN	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
EPA	1H-Indole, 1-methyl-2-phenyl- (3558-24-5)

화학적 성질

WHITE TO LIGHT GREEN-TAN CRYSTALS OR CRYST. POWDER

안전 및 규제

GHS 분류	WarningH315 (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 Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29339900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	24/25-26
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

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

일반 설명

Reaction 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.