4'-Chloro-2,2':6',2''-terpyridine (HCID 667748)

이름 및 식별자

우선 이름: 4'-Chloro-2,2':6',2''-terpyridine
IUPAC: 4-chloro-2,6-dipyridin-2-ylpyridine
영어명: 4'-Chloro-2,2':6',2''-terpyridine
분자식: C15H10ClN3
분자량: 267.71

이름 및 동의어

4'-Chloro-2,2':6',2''-terpyridine128143-89-5DTXSID00349885RefChem:95944DTXCID40300955626-940-74-chloro-2,6-dipyridin-2-ylpyridineMFCD001919302,2':6',2''-Terpyridine, 4'-chloro-4'-chloro-2,2';6',2''-terpyridineCHEMBL22058054/'-Chloro-2,2/':6/',2/'/'-terpyridine

이름 더 보기

DK73654-Chloro-tetrapyridine4'-Chloro-α,α',α''-tripyridy4'-Chloro-α,α',α''-tripyridyl4'-CHLORO-2,2'6'2''-TERPYRIDINE2,2':6',2''-Terpyridine,4'-chloro-4'-Chloro-2,2,2':6',2''-terpyridine4'-Chloro-2,2':6',2"-terpyridine-98%4-Chloro-2,6-di(pyridin-2-yl)pyridine

4-chloro-2,6-di(2-pyridyl)pyridineAMS_CNC_ID-1109810574'-chloro-2,2':6',2''-terpy-ridine4'-Chloro-2,2':6',2"-terpyridineYSWG8114-Chloro-2,2:6,2-Terpyridine4-CHLORO-6-(PYRIDIN-2-YL)-2,2'-BIPYRIDINESCHEMBL517337

데이터베이스 식별자

CAS: 128143-89-5
PubChem CID: 667748
DTXSID: DTXSID00349885
ChEMBL: CHEMBL2205805
EC Number: 626-940-7
Nikkaji: J1.085.639F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 261

물리화학적 성질

녹는점: 148 · 148-150 °C(lit.)
끓는 점: 416.73 °C · 416.73°C (rough estimate)
밀도: 1.2245 · 1.2245 (rough estimate)
굴절률: 1.601 · 1.6010 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.22 · 4.22±0.22(Predicted)
색상: 갈색
수용성: 물에 약간 용해됩니다.
BRN: 3613386 · 3613386
InChI: InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
InChIKey: AHEMFMCEBIJRMU-UHFFFAOYSA-N
SMILES: C1(C2=NC(C3=NC=CC=C3)=CC(Cl)=C2)=NC=CC=C1

화학적 성질

brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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

Hazard Classes and CategoriesAcute Tox. 3 (85.1%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (85.1%)；Eye Irrit. 2 (14.9%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 29333990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

용도4'-Chloro-2,2':6',2''-terpyridine is widely utilized in the field of supramolecular chemistry, which is used to manufacture double helicates, dendrimers, micelles and metallo-supramolecular polymers. It is used to synthesize the mono- and bis-terpyridines. It is actively involved in Williamson type ether reactions alpha,μ-bishydroxy-functionalized poly(propylene oxide).

일반 설명4′-Chloro-2,2′:6′,2′′-terpyridine (4′-Cltpy, Cltpy, Cl-terpy) is a tridentate ligand that contains a terpyridine (tpy) site with a Cl site at the 4 -position. It coordinates with various metal ions through these two sites to form different coordination polymers. Crystal structure study shows terpyridine unit of Cltpy adopts a trans, trans conformation. Mol-ecules assemble themselves into stacked columns along the b axis, with an inter-planar distance of 3.51. It undergoes Williamson type ether reactions with α,ω-bishydroxy-functionalized poly(propylene oxide). It undergoes Williamson type reaction with α-hydroxy-ω-carboxy-functionalized poly(ethylen-oxide) to afford monoterpyridine terminated telechelics.