CAS 54258-41-2 1,10-Phenanthrolin-5-amine (HCID 606970)

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Basic information

CAS: 54258-41-2
Standard SMILES: Nc1cc2cccnc2c2ncccc12
InChIKey: DKPSSMOJHLISJI-UHFFFAOYSA-N
Molecular formula: C12H9N3
Average molar mass: 195.22 g/mol
Monoisotopic mass: 195.07964729

Names & identifiers

Preferred name: 1,10-Phenanthrolin-5-amine
IUPAC: 1,10-phenanthrolin-5-amine
English name: 1,10-Phenanthrolin-5-amine
Molecular formula: C12H9N3
Molecular weight: 195.22

Names & synonyms

1,10-Phenanthrolin-5-amine54258-41-2DTXSID90345775RefChem:71158DTXCID80296848627-746-5DKPSSMOJHLISJI-UHFFFAOYSA-N5-amino-1,10-phenanthroline(1,10)Phenanthrolin-5-ylamineMFCD00455733NCDS-11,10-Phenanthroline-5-amine

Show more names

5-AMinophenanthroline5-AMino-o-phenanthroline10-Phenanthrolin-5-amine1,1-Phenanthrolin-5-amine5-amino-1,10-phenanrolineAmine-1,10-PhenanthrolinAmino-1,1,0-phenanthroline5-Amine-1,1-phenanthroline

[1,10]Phenanthrolin-5-ylamineSMSSF-06255061,10-Phenanthrolin-5-amine, 97%CS-W004553AMS_CNC_ID-110982873doi:10.14272/DKPSSMOJHLISJI-UHFFFAOYSA-N.1CBDivE_011577CBChromo1_000067

Database identifiers

CAS: 54258-41-2
PubChem CID: 606970
DTXSID: DTXSID90345775
ChEMBL: CHEMBL5095888
EC Number: 627-746-5
Nikkaji: J842.072F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Physicochemical properties

Melting point: 254 · 254-258 °C (lit.)
Boiling point: 197 · 197-198 °C
Density: 1.333 · 1.333±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Sparingly), Methanol (Sparingly)
form: Solid
pka: 5.2 · 5.20±0.10(Predicted)
color: Yellow to Orange
InChI: 1S/C12H9N3/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,13H2
InChIKey: DKPSSMOJHLISJI-UHFFFAOYSA-N
SMILES: Nc1cc2cccnc2c3ncccc13
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H317-H318

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 22-41-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H317-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Sens. 1
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses1,10-Phenanthrolin-5-amine can be used in the synthesis of bis-[1,10]phenanthrolin-5-yl-pyromellitic diimide (Bphen-PMD), which can find applications in organic light-emitting devices.

Uses1,10-Phenanthrolin-5-amine is a potential fluorescent label for DNA detection. 1,10-Phenanthrolin-5-amine is used as a mediator for glucose oxidase for development of biosensors and biofuel cells