3-Amino-2-chloro-4-methylpyridine

HCID 2756387CAS 133627-45-9

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Grundinformationen

Standard-SMILES: Cc1ccnc(Cl)c1N
InChIKey: UOBCYTOUXLAABU-UHFFFAOYSA-N
Summenformel: C6H7ClN2
Durchschnittliche Molmasse: 142,58 g/mol
Monoisotopische Masse: 142,0297759

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 3-Amino-2-chloro-4-methylpyridine
IUPAC: 2-chloro-4-methylpyridin-3-amine
Englischer Name: 3-Amino-2-chloro-4-methylpyridine
Summenformel: C6H7ClN2
Molmasse: 142.59

Namen und Synonyme

133627-45-93-Amino-2-chloro-4-methylpyridineDTXSID30373350RefChem:497006DTXCID303243822-chloro-4-methylpyridin-3-amine2-Chloro-3-amino-4-methylpyridine3-Amino-2-chloro-4-picoline2-Chloro-3-amino-4-picoline2-chloro-4-methyl-3-pyridinamine3-PYRIDINAMINE, 2-CHLORO-4-METHYL-2-chloro-4-methyl-pyridin-3-amine

Weitere Namen anzeigen

CapicCAS:133627-45-9TIMTEC-BB SBB0101943-Amino-2-chloro-4-pASINEX-REAG BAS 137949172-Chloro-3-Amino-4-Methylpyrid

MFCD006731522-chloro-3-amino-4-methyl pyridineHMS1699O14AKOS000301676CS-W008207AC-1144SB105952-chloro-4-methyl-3-pyridylamine

Datenbank-Bezeichner

CAS: 133627-45-9
PubChem CID: 2756387
DTXSID: DTXSID30373350
UNII: B2TJ67X649
EC Number: 603-756-5
Nikkaji: J1.359.177F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97,1

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-70 °C
Siedepunkt: 283.3 · 283.3±35.0 °C(Predicted)
Dichte: 1.26 · 1.260±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Chloroform, Ethanol
pka: 3.22 · 3.22±0.10(Predicted)
Aggregatzustand: Crystals
Farbe: Off White
InChI: InChI=1S/C6H7ClN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3
InChIKey: UOBCYTOUXLAABU-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C)=C1N
CAS Datenbank: 133627 · 133627-45-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN2811
hs_code: 29333990
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-36-39
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Amino-2-chloro-4-methylpyridine, also known as CAPIC, is a key intermediate in the production of nevirapine, a non-nucleosidic reverse transcriptase inhibitor that has been established to be clinically useful for the treatment of infection by HIV-1.