Pyridin-2,6-diyldiamin

2,6-Diaminopyridine

HCID 8861CAS 141-86-6
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Grundinformationen

Standard-SMILES
Nc1cccc(N)n1
InChIKey
VHNQIURBCCNWDN-UHFFFAOYSA-N
Summenformel
C5H7N3
Durchschnittliche Molmasse
109,13 g/mol
Monoisotopische Masse
109,06399722

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
2,6-Diaminopyridine
IUPAC
pyridine-2,6-diamine
Lokaler Name
Pyridin-2,6-diyldiamin
Englischer Name
2,6-Diaminopyridine
Summenformel
C5H7N3
Molmasse
109.13

Namen und Synonyme

2,6-Diaminopyridine141-86-6pyridine-2,6-diamine2,6-pyridinediaminepyridine, 2,6-diamino-DAP (amine)DTXSID0040127NSC-1921K89AB8CKG6RODOL 26PYRDTXCID8020127RefChem:83122
Weitere Namen anzeigen
2,6-DAP6-DiaMinopyridine26BDNSC 4033462.6-DiaMinopyr
CHEBI:51598205-507-2Diaminopyridinepyridine-2,6-diyldiamineMFCD00006329NSC 19212,6-Diamino pyridine118352-40-2

Datenbank-Bezeichner

CAS
141-86-6
PubChem CID
8861
DTXSID
DTXSID0040127
ChEMBL
CHEMBL339234
UNII
K89AB8CKG6
EC Number
205-507-2
Nikkaji
J38.340F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,2
Polarare Oberfläche (TPSA)
64,9 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines
CosmeticsHair dyeing
Boiling Point285 °C @760 [mm Hg]
Physical DescriptionSlightly brown solid; [EC: SCCS - Opinion] Light brown, yellow, or off-white powder or flakes; [Alfa Aesar MSDS]
Ionization Efficiency · 6 Einträge

Positive

3.05

1.9

Agilent XCT

Electrospray ionization

trifluoroacetic acid (10.4nM)

Collision Cross Section119.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0040127]

Physikochemische Eigenschaften

Schmelzpunkt
117 · 117-122 °C (lit.)
Siedepunkt
285 °C · 285 °C (lit.)
Dichte
1.711 · 1.7110 (rough estimate)
Brechungsindex
1.534 · 1.5340 (estimate)
Flammpunkt
155 °C · 155°C
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2,6-Pyridinediamine

2,6-Diaminopyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

One report of occupational contact dermatitis in the pharmaceutical industry; [NTP] A strong sensitizer based on the mouse local lymph node assay (LLNA); Oral LD50 (rat) = 50-300 mg/kg; A 90-day oral study of rats demonstrated the erythrocytes, spleen, kidney, and liver as target organs of toxicity (most changes recovering after 4-week recovery period); Developmental toxicity (decreased fetal and placental weights and incomplete thoracic vertebrae ossification) but no teratogenicity observed in oral study of rats in the presence of maternal toxicity; [EC: SCCS - Opinion] An irritant; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (99%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.33 [mg/m3]

3.6 [mg/m3]

22 [mg/m3]

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

F
9
wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29333999
RTECS-Nr.
US7570000

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used in oxidative hair dyes; [EC: SCCS - Opinion] Used as an intermediate for pharmaceuticals and polyamides, epoxy curing agent, and coupler in hair dyes; [NTP]

Plastic Composites Manufacturing [Category: Industry]

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,6-Pyridinediamine: ACTIVE
Anwendungen · 2 Einträge

Beschreibung2,6-Diaminopyridine is an important organic reagent with a wide range of uses. It can be used for fluorescence detection, 2,6-Diaminopyridine fluorescence method for the determination of certain aromatic primary amines. It can also be used to prepare 2,6-Diaminopyridine imprinted core-shell nanoparticles. A new method for the detection of diaminopyridine derivatives using molecularly imprinted electrochemical sensors has been established, which has been applied to the detection of 2,6-Diaminopyridine in hair dyes with good sensitivity and selectivity.

Verwenden2,6-Diaminopyridine, used as a pharmaceutical intermediate and a hair dye coupler in oxidation/permanent formulations.

Darstellung · 1 Eintrag

synthetischeIn a 600 mL autoclave equipped with a gas entrapment stirrer, a solution of 5 g CuI in 120 g aqueous ammonia (30% NH3 by weight) was added and mixed with 77 g ammonium acetate and 60 g of 2, 6-dichloropyridine. After purging with nitrogen, 24 g of liquid ammonia was added resulting in a pressure of about 150 psi (1.03 MPa). Subsequently, the reaction mixture was heated to 150°C for 8 h under stirring. Throughout the reaction, the pressure decreased from an initial pressure of 680 psi (4.69 MPa) to 450 psi (3.10 MPa). The reaction mixture was allowed to cool to room temperature, and the pressure was brought back to atmospheric pressure. Finally, 2,6-Diaminopyridine was obtained after purification.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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