2,6-디페닐알리딘

2,6-Diphenylpyridine

HCID 72920CAS 3558-69-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(-c2cccc(-c3ccccc3)n2)cc1
InChIKey: PJUOHDQXFNPPRF-UHFFFAOYSA-N
분자식: C17H13N
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.10479942

이름 및 식별자

우선 이름: 2,6-Diphenylpyridine
IUPAC: 2,6-diphenylpyridine
현지명: 2,6-디페닐알리딘
영어명: 2,6-Diphenylpyridine
분자식: C17H13N
분자량: 231.29

이름 및 동의어

2,6-Diphenylpyridine3558-69-8Pyridine, 2,6-diphenyl-ZI75V15Y1TNSC-133378DTXSID7022209RefChem:833622,5DPhPy3,5DPhPy2,6-DPhPyDTXCID202209222-620-2

이름 더 보기

2,6-디페닐알리딘DiphenylpyridineAbametapir Impurity 32,6-Diphenylpyridine>2,6-DIPHENYLPYRIDINE 97%2,6-Diphenylpyridine,97%2,6-DIPHENYLPYRIDINE 99+%

2,6-diphenyl-pyridineMFCD00006284EINECS 222-620-2UNII-ZI75V15Y1TNSC1333782,6-diphenyl pyridine2,6-Diphenyl-pyridinMaybridge3_000511

데이터베이스 식별자

CAS: 3558-69-8
PubChem CID: 72920
DTXSID: DTXSID7022209
ChEMBL: CHEMBL1330164
UNII: ZI75V15Y1T
EC Number: 222-620-2
Nikkaji: J149.747B

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 214

실험 및 물리화학적 성질

Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.00000132 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 73 · 73-77 °C
끓는 점: 210 °C · 210°C 3mm
밀도: 1.1024 · 1.1024 (rough estimate)
굴절률: 1.5515 · 1.5515 (estimate)
인화점: 210 °C/3mm · 210°C/3mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.83 · 3.83±0.10(Predicted)
색상: White to Light yellow to Light orange
수용성: 물에 불용성.
BRN: 7516 · 7516

화학적 성질

white to almost white crystals or cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26

화학 및 산업

응용 분야

용도2,6-Diphenylpyridine is used as a tridentate [CNC] dianionic ligand in organogold(III) chemistry, an intermediate. It readily adds an electron from alkali metals in THF to give a radical anion which is a powerful reducing agent.