N-(3-Methylphenyl)aniline

MDA · (+/-)-MDA · N-PHENYL-M- · 3-Methyldianiline · 3-two Methylaniline · N-PHENYL-M-TOLUIDINE · Phenyl-m-tolyl-amine · 3-METHYLDIPHENYLAMINE

https://huagongshe.com/ko/chemical/14569

식별자 및 물리적 특성

CAS No.	1205-64-7
분자식	C13H13N
평균 분자량	183.25 g/mol
단동위원소 질량	183.10479942 g/mol
SMILES	Cc1cccc(Nc2ccccc2)c1
InChIKey	TWPMMLHBHPYSMT-UHFFFAOYSA-N
PubChem CID	14569
ChEMBL	CHEMBL1339734
EC No.	214-885-8
DTXSID	DTXSID9044790

화학 및 물리적 성질

XLogP	3.8
극성 표면적	12
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	161
Collision Cross Section	143.2 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9044790]
녹는점	30 °C
끓는 점	315 °C/724 mmHg (lit.)
밀도	1.066 g/mL at 25 °C (lit.)
굴절률	n20/D 1.635(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	투명한 액체
pKa(산도 계수)	0.97±0.30(Predicted)
색상	무색~황색~주황색
InChI	InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKey	TWPMMLHBHPYSMT-UHFFFAOYSA-N
SMILES	C1(NC2=CC=CC=C2)=CC=CC(C)=C1
EPA	N-Phenyl-3-methylaniline (1205-64-7)

화학적 성질

brown to black liquid after melting

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 45 reports by companies from 5 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	29214990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
기존화학 물질	2005-3-3097
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

3-methyldiphenylamine and its derivatives are widely used in the OLED devices as an organic semiconductor. Organic and polymer photovoltaics have the potential to become a flexible low-cost alternative to inorganic semiconductor-based photovoltaics[1].