2-Methyl-4-nitrophenyl isocyanate

HCID 4296456CAS 56309-59-2

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Grundinformationen

Standard-SMILES: Cc1cc([N+](=O)[O-])ccc1N=C=O
InChIKey: FZCFUPBIPMLIPI-UHFFFAOYSA-N
Summenformel: C8H6N2O3
Durchschnittliche Molmasse: 178,14 g/mol
Monoisotopische Masse: 178,03784206

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-4-nitrophenyl isocyanate
IUPAC: 1-isocyanato-2-methyl-4-nitrobenzene
Englischer Name: 2-Methyl-4-nitrophenyl isocyanate
Summenformel: C8H6N2O3
Molmasse: 178.14

Namen und Synonyme

2-Methyl-4-nitrophenyl isocyanate56309-59-2DTXSID40401678RefChem:263420DTXCID20352533620-898-31-isocyanato-2-methyl-4-nitrobenzene1-Isocyanato-2-methyl-4-nitro-benzene2-Methyl-4-nitrophenylisocyanateMFCD000147044-isocyanato-3-methyl-1-nitro-benzeneSCHEMBL546059

Weitere Namen anzeigen

2-Methyl-4-nitrophenyl isocyanate-98%Benzene, 1-isocyanato-2-methyl-4-nitro-

2-methyl-4-nitrobenzenisocyanate2-methyl4-nitrophenyl isocyanateFZCFUPBIPMLIPI-UHFFFAOYSA-NGEO-04290AKOS005207061AKOS0158890932-Methyl-4-nitrophenyl isocyanate, 98%ST50826701

Datenbank-Bezeichner

CAS: 56309-59-2
PubChem CID: 4296456
DTXSID: DTXSID40401678
EC Number: 620-898-3
Nikkaji: J267.365G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 75,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 242

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-84 °C(lit.)
Siedepunkt: 168 °C23 · 168 °C23 mm Hg(lit.)
Dichte: 1.4114 · 1.4114 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
Flammpunkt: 168 °C/23mm · 168°C/23mm
BRN: 2723857 · 2723857

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (11.6%): 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 43 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (11.6%)；STOT SE 3 (100%)