4,6-Dimethoxypyrimidin-2-amin

2-Amino-4,6-dimethoxypyrimidine

HCID 118946CAS 36315-01-2

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Grundinformationen

Standard-SMILES: COc1cc(OC)nc(N)n1
InChIKey: LVFRCHIUUKWBLR-UHFFFAOYSA-N
Summenformel: C6H9N3O2
Durchschnittliche Molmasse: 155,15 g/mol
Monoisotopische Masse: 155,06947653

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4,6-dimethoxypyrimidine
IUPAC: 4,6-dimethoxypyrimidin-2-amine
Lokaler Name: 4,6-Dimethoxypyrimidin-2-amin
Englischer Name: 2-Amino-4,6-dimethoxypyrimidine
Summenformel: C6H9N3O2
Molmasse: 155.15

Namen und Synonyme

2-Amino-4,6-dimethoxypyrimidine36315-01-24,6-Dimethoxypyrimidin-2-amine2-Pyrimidinamine, 4,6-dimethoxy-8B9760951KAE-F 092944J 290J-290RefChem:85165252-969-6MFCD000388324,6-Dimethoxy-2-pyrimidinamine

Weitere Namen anzeigen

ADMP6-diMethoxypyriMidine4,6-dime2-AMino-4.6-diBUTTPARK 97\12-85TIMTEC-BB SBB0069322-Amino-4,6-dimethox

4,6-dimethoxy-2- aminopyrimidine4,6-dimethoxy-2-aminopyrimidine4,6-Dimethoxy-pyrimidin-2-ylamineF0084-00244,6-dimethoxypyrimidine-2-ylamineMaybridge1_002259ulfonylurea TP1ulfosulfuron TP3

Datenbank-Bezeichner

CAS: 36315-01-2
PubChem CID: 118946
DTXSID: DTXSID1074620
UNII: 8B9760951K
EC Number: 252-969-6
Nikkaji: J235.997I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 70,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physikochemische Eigenschaften

Schmelzpunkt: 94 · 94-96 °C (lit.)
Siedepunkt: 278.95 °C · 278.95°C (rough estimate)
Dichte: 1.3092 · 1.3092 (rough estimate)
Brechungsindex: 1.65 · 1.6500 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.02 · 4.02±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: LVFRCHIUUKWBLR-UHFFFAOYSA-N
SMILES: C1(N)=NC(OC)=CC(OC)=N1
CAS Datenbank: 36315 · 36315-01-2(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Pyrimidinamine, 4,6-dimethoxy- (36315-01-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 5.3% (11 of 206) of reports.

Warning

H302+H312+H332 (13.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 206 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Commission Regulation No 844/2012

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 27-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20424

Hazard Classes and CategoriesAcute Tox. 4 (20.4%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29335995
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information2-Pyrimidinamine, 4,6-dimethoxy-: ACTIVE

Anwendungen

Verwenden2-Amino-4,6-dimethoxypyrimidine is a building block for various chemical synthesis. Attributes PIS available on request. Please contact us. Contact