2-Chloro-3-methylquinoxaline

HCID 236276CAS 32601-86-8

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Grundinformationen

Standard-SMILES: Cc1nc2ccccc2nc1Cl
InChIKey: PXDLUYLWPJMGJA-UHFFFAOYSA-N
Summenformel: C9H7ClN2
Durchschnittliche Molmasse: 178,62 g/mol
Monoisotopische Masse: 178,0297759

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-3-methylquinoxaline
IUPAC: 2-chloro-3-methylquinoxaline
Englischer Name: 2-Chloro-3-methyl-quinoxaline
Summenformel: C9H7ClN2
Molmasse: 178.62

Namen und Synonyme

2-chloro-3-methylquinoxalineDTXSID50284712RefChem:86197DTXCID30235863676-130-232601-86-82-Chloro-3-methyl-quinoxalineQuinoxaline, 2-chloro-3-methyl-MFCD00023913SCHEMBL16709422-Chloro-3-methylquinoxaline, 97%SY017612

Weitere Namen anzeigen

NSC 38593AKOS BBS-00004537TIMTEC-BB SBB0106322-Chloro-3-methylquinoxaline ,97%

doi:10.14272/PXDLUYLWPJMGJA-UHFFFAOYSA-N.2Z57156248BCP27356NSC38593AM20070342FT-06117323-chloro-2-methylquinoxalineALBB-023906

Datenbank-Bezeichner

CAS: 32601-86-8
PubChem CID: 236276
DTXSID: DTXSID50284712
EC Number: 676-130-2、692-189-7
Nikkaji: J1.430.571H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-93℃
Siedepunkt: 259.9 · 259.9±35.0 °C(Predicted)
Dichte: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: powder
pka: -1.14 · -1.14±0.48(Predicted)
InChI: 1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChIKey: PXDLUYLWPJMGJA-UHFFFAOYSA-N
SMILES: Cc1nc2ccccc2nc1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301 (84.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (84.8%)

Acute Tox. 4 (100%)

Sicherheitsdaten

wgk: 2
ridadr: UN 2811 6.1 / PGIII
hs_code: 29339900
risk_code: 25-41
hazard_code: Xi,T
safety_code: 26-39-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1