5-Chloro-1,10-phenanthroline

HCID 77865CAS 4199-89-7

기본 정보

표준 SMILES: Clc1cc2cccnc2c2ncccc12
InChIKey: XDUUQOQFSWSZSM-UHFFFAOYSA-N
분자식: C12H7ClN2
평균 분자량: 214.65 g/mol
단동위원소 질량: 214.0297759

이름 및 식별자

우선 이름: 5-Chloro-1,10-phenanthroline
IUPAC: 5-chloro-1,10-phenanthroline
영어명: 5-Chloro-1,10-phenanthroline
분자식: C12H7ClN2
분자량: 214.65

이름 및 동의어

5-Chloro-1,10-phenanthroline1,10-Phenanthroline, 5-chloro-EINECS 224-098-1DTXSID2063347RefChem:1022581,10Phenanthroline, 5chloroDTXCID9040007224-098-1InChI=1/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7XDUUQOQFSWSZSM-UHFFFAOYSA-N4199-89-7MFCD00004980

이름 더 보기

RMA-429TIMTEC-BB SBB008907oro-1,10-phenanthroL5-Chloro-o-phenanthroline5-chloro-10-phenanthroline5-Chloro-1,10-phenanthroline>5-Chloro-1,10-phenanthroline 98%

CHEMBL3171155-Chloro-1.10-phenanthroline5-chloropyridino[3,2-h]quinolineMLS001360518SCHEMBL5047655-Chloro-1,10-diazaphenanthreneHMS3074N22BDBM50401344

데이터베이스 식별자

CAS: 4199-89-7
PubChem CID: 77865
DTXSID: DTXSID2063347
ChEMBL: CHEMBL317115
EC Number: 224-098-1
Nikkaji: J208.212H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 234

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 124 · 124-126 °C (lit.)
끓는 점: 397.4 · 397.4±22.0 °C(Predicted)
밀도: 1.375 · 1.375±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 유기용매에 용해됩니다.
물리적 상태: 수정 같은
산도 계수 (pKa): 4.02 · 4.02±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
InChIKey: XDUUQOQFSWSZSM-UHFFFAOYSA-N
SMILES: N1C2C(=C(Cl)C=C3C=2N=CC=C3)C=CC=1
EPA: 1 · 1,10-Phenanthroline, 5-chloro- (4199-89-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2933.49.7000
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,10-Phenanthroline, 5-chloro-: ACTIVE

응용 분야

용도5-Chloro-1,10-phenanthroline was used in preparation of:1,10-phenanthrolinium cation, new building block for the design of ionic liquid crystalsplatinum(II)-based metallointercalators