2-Isocyanato-1-methoxy-4-methylbenzene

HCID 4141520

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Grundinformationen

CAS: 59741-04-7
Standard-SMILES: COc1ccc(C)cc1N=C=O
InChIKey: IDOHLSFNBKNRRJ-UHFFFAOYSA-N
Summenformel: C9H9NO2
Durchschnittliche Molmasse: 163,17 g/mol
Monoisotopische Masse: 163,06332853

Namen und Bezeichner

Bevorzugter Name: 2-Isocyanato-1-methoxy-4-methylbenzene
IUPAC: 2-isocyanato-1-methoxy-4-methylbenzene
Englischer Name: 2-Methoxy-5-methylphenyl isocyanate
Summenformel: C9H9NO2
Molmasse: 163.17

Namen und Synonyme

59741-04-72-isocyanato-1-methoxy-4-methylbenzeneDTXSID30399838RefChem:262297DTXCID60350694626-495-92-Methoxy-5-methylphenyl isocyanate2-methoxy-5-methylphenylisocyanate2-isocyanato-1-methoxy-4-methyl-benzeneMFCD00013869Benzene, 2-isocyanato-1-methoxy-4-methyl-6-Methoxy-m-tolyl isocyanate

Weitere Namen anzeigen

2-Methoy-5-methylphenyl isocyanate2-Methoxy-5-methylphenyl isocyanate-97%

ZINC02560442A832444Benzene, 2-isocyanato-1-methoxy-4-methyl- (9CI)3-Isocyanato-4-methoxytoluene478547_ALDRICHSCHEMBL1019299SCHEMBL296488472-methoxy-5-methylbenzenisocyanate

Datenbank-Bezeichner

CAS: 59741-04-7
PubChem CID: 4141520
DTXSID: DTXSID30399838
EC Number: 626-495-9
Nikkaji: J410.671G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 187

Physikochemische Eigenschaften

Schmelzpunkt: 25 · 25-26 °C(lit.)
Siedepunkt: 240 °C · 240 °C(lit.)
Dichte: 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.537(lit.)
Flammpunkt: 230 °F · >230 °F
Aggregatzustand: Liquid or Low Melting Solid
Farbe: Clear colorless
BRN: 3604599 · 3604599
CAS Datenbank: 59741 · 59741-04-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (91.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (91.1%)；Resp. Sens. 1 (13.3%)；STOT SE 3 (100%)