4,4"-DIAMINO-P-테르페닐

4,4"-DIAMINO-P-테르페닐 · [1,1':4',1''-terphenyl]-4,4''-diaMine · 4,4’’-diaminoterphenyl · 4,4'-DIAMINO-P-TERPHENYL · AKOS AUF02006 · p-Terphenylenediamine · 4,4 '- Diaminotriphenyl · 4,4''-Diamino-p-terphenyl

https://huagongshe.com/ko/chemical/104949

식별자 및 물리적 특성

CAS No.	3365-85-3
분자식	C18H16N2
평균 분자량	260.3 g/mol
단동위원소 질량	260.13134851 g/mol
SMILES	Nc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1
InChIKey	QBSMHWVGUPQNJJ-UHFFFAOYSA-N
PubChem CID	104949
EC No.	677-188-1
DTXSID	DTXSID40187329
현지명	4,4"-DIAMINO-P-테르페닐

화학 및 물리적 성질

XLogP	3
극성 표면적	52
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	20
형식 전하	0
복잡도	250
SpringerMaterials Properties	Clearing parameter
녹는점	242-244°C
끓는 점	484.2±25.0 °C(Predicted)
밀도	1.159±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	soluble in Tetrahydrofuran,Acetone
pKa(산도 계수)	4.59±0.10(Predicted)
BRN	2120295
InChI	InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2
InChIKey	QBSMHWVGUPQNJJ-UHFFFAOYSA-N
SMILES	C1(C2=CC=C(C3=CC=C(N)C=C3)C=C2)=CC=C(N)C=C1

안전 및 규제

GHS 분류	DangerH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (83.3%)
운송 번호(UN)	2811
관세 코드	29215900
위험 문구(R)	20/21/22-45
안전 문구(S)	45-53
포장분류	II

용도

4,4''-Diamino-p-terphenyl can be used to make selective hydrogen sensors that have high sensitivity, low consumption, and no cross-sensitivity to methane and ethane even at their operating temperatures and higher. Moreover, it is also used for studies of Symmetry breakdown of 4,4″-diamino-p-terphenyl on a Cu(111) surface by lattice mismatch[1-2].