5-Nitro-1,10-phenanthroline (HCID 72790)

이름 및 식별자

우선 이름: 5-Nitro-1,10-phenanthroline
IUPAC: 5-nitro-1,10-phenanthroline
영어명: 5-Nitro-1,10-phenanthroline
분자식: C12H7N3O2
분자량: 225.2

이름 및 동의어

5-Nitro-1,10-phenanthroline4199-88-61,10-Phenanthroline, 5-nitro-DTXSID7063346RefChem:410362DTXCID4040006224-097-6MFCD00004981NSC42635-Nitro-1, 10-diazaphenanthrene5-NPNSC 4263

이름 더 보기

5-Nitro-1TIMTEC-BB SBB0088505-nitro-10-phenanthroline5-Nitro-1,10-phenthroline5-Nitro-1,10-phenathroline5-Nitro-1,10-phenanthroline>

MLS0007365065-Nitro-1,10-diazaphenanthreneAKOS003368622PD15853010.14272/PDDBTWXLNJNICS-UHFFFAOYSA-N.15-nitropyridino[3,2-h]quinolineNitroferroinAMY23551

데이터베이스 식별자

CAS: 4199-88-6
PubChem CID: 72790
DTXSID: DTXSID7063346
ChEMBL: CHEMBL101815
ChEBI: CHEBI:201448
EC Number: 224-097-6
Nikkaji: J8.690H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 71.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 17
형식 전하: 0
복잡도: 305

실험 및 물리화학적 성질

Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 202 · 202-204 °C(lit.)
끓는 점: 366.71 °C · 366.71°C (rough estimate)
밀도: 1.2844 · 1.2844 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Alcohol,Benzene
산도 계수 (pKa): 1 · pK1:3.232(+1) (25°C)
물리적 상태: 수정 같은
색상: 노란색에서 주황색으로
생물학적 소스: synthetic
수용성: 불용성
BRN: 196245 · 196245
InChI: InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N
SMILES: N1C2C(=C([N+]([O-])=O)C=C3C=2N=CC=C3)C=CC=1
EPA: 1 · 1,10-Phenanthroline, 5-nitro- (4199-88-6)

화학적 성질

Light yellow to yellow-brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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 SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29339900
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36-24/25-22
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야

용도5-Nitro-1,10-phenanthroline complexes of iron find wide applications in redox titrations. It is used as a precursor for the synthesis of 5-amino-1,10-phenanthroline, 5-isothiocyanato-1,10-phenanthroline.