CAS 38696-21-8 5-Bromo-N,N-dimethylpyrimidin-2-amine (HCID 12735315)

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Grundinformationen

CAS: 38696-21-8
Standard-SMILES: CN(C)c1ncc(Br)cn1
InChIKey: NYMYGNLCILQUMT-UHFFFAOYSA-N
Summenformel: C6H8BrN3
Durchschnittliche Molmasse: 202,05 g/mol
Monoisotopische Masse: 200,99016

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-N,N-dimethylpyrimidin-2-amine
IUPAC: 5-bromo-N,N-dimethylpyrimidin-2-amine
Englischer Name: 5-Bromo-2-(dimethylamino)pyrimidine
Summenformel: C6H8BrN3
Molmasse: 202.05

Namen und Synonyme

5-bromo-N,N-dimethylpyrimidin-2-amineDTXSID60508471RefChem:533976DTXCID2045927838696-21-85-Bromo-2-(dimethylamino)pyrimidine(5-Bromopyrimidin-2-yl)dimethylamineMFCD073682285-Bromo-N,N-Dimethyl-Pyrimidin-2-Amine5-bromo-2-dimethylaminopyrimidine2-(N,N-dimethylamino)-5-bromopyrimidine5-Bromo-2-(dimethylamino)pyrimidine, 97%

Weitere Namen anzeigen

5-Bromo-N,N-dimethyl-2-pyrimidinamine2-broMo-N,N-diMethylpyriMidin-4-aMine2-Pyrimidinamine, 5-bromo-N,N-dimethyl-5-Bromo-2-(dimethylamino)pyrimidine 97%5-BROMO-2-(DIMETHYLAMINO)PYRIMIDINE ISO 9001：2015 REACH

EN300-1252608FT-0645417A824238SCHEMBL629463NYMYGNLCILQUMT-UHFFFAOYSA-N5-bromo-2(dimethylamino)pyrimidineSBB092859AKOS013153651

Datenbank-Bezeichner

CAS: 38696-21-8
PubChem CID: 12735315
DTXSID: DTXSID60508471

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 99

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-81°C
Siedepunkt: 272 · 272.0±32.0 °C(Predicted)
Dichte: 1.553 · 1.553±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
pka: 2.21 · 2.21±0.10(Predicted)
Farbe: off white
InChI: InChI=1S/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
InChIKey: NYMYGNLCILQUMT-UHFFFAOYSA-N
SMILES: C1(N(C)C)=NC=C(Br)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 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.