5-Methyl-1,10-phenanthroline (HCID 72791)

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 5-Methyl-1,10-phenanthroline
IUPAC: 5-methyl-1,10-phenanthroline
English name: 5-Methyl-1,10-phenanthroline
Molecular formula: C13H10N2
Molecular weight: 194.23

Names & synonyms

5-Methyl-1,10-phenanthroline3002-78-61,10-Phenanthroline, 5-methyl-DTXSID4062771RefChem:536779DTXCID0038120221-099-95-MethylphenanthrolineMFCD00004982CHEMBL98682NSC4272SCHEMBL371564

Show more names

RMA-4265-methyl-10-phenanthroline5-Methyl-1,1-phenanthroline5-Methyl-1,10-phenanthroline 98%5-Methyl-1,10-phenanthrolin-2-ol5-METHYL-1,10-PHENANTHROLINE, 99+%5-Methyl-1,10-phenanthroline Hydrate

UJAQYOZROIFQHO-UHFFFAOYSA-5-methylpyridino[3,2-h]quinolineSMSSF-0625532NSC-4272BDBM50401345AKOS015899630AMS_CNC_ID-110962535CS-W004552

Database identifiers

CAS: 3002-78-6
PubChem CID: 72791
DTXSID: DTXSID4062771
ChEMBL: CHEMBL98682
EC Number: 221-099-9
Nikkaji: J150.535A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 229

Experimental & physicochemical properties

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionOff-white or pale yellow powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 113 · 113-114 °C (lit.)
Boiling point: 320.68 °C · 320.68°C (rough estimate)
Density: 1.1579 · 1.1579 (rough estimate)
refractive index: 1.5014 · 1.5014 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: 50 mg/mL, · methanol: soluble50mg/mL, clear to slightly hazy, colorless to yellow
form: powder to crystal
pka: 4.89 · 4.89±0.10(Predicted)
color: White to Light yellow to Light orange
Sensitive: Hygroscopic
BRN: 143849 · 143849
InChI: 1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N
SMILES: Cc1cc2cccnc2c3ncccc13
CAS DataBase Reference: 3002 · 3002-78-6(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,10-Phenanthroline, 5-methyl- (3002-78-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335-H302
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 36 · 36/37/39-26-36/37
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
safety_code: 36/37/39-26-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H301-H315-H319-H335-H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,10-Phenanthroline, 5-methyl-: INACTIVE

Applications

Uses5-Methyl-1,10-phenanthroline was used in the determination of Cu(II) in duralmin alloy by capillary zone electrophoresis.

General Description5-Methyl-1,10-phenanthroline forms iron(II)-phenanthroline complexes and their gas-phase stabilities has been investigated in an electrospray ionization mass spectrometer.