2,4,5-Trimethylphenyl isocyanate
Grundinformationen
- CAS
85324-94-3- Standard-SMILES
Cc1cc(C)c(N=C=O)cc1C- InChIKey
MAIFYUSBGLFXDA-UHFFFAOYSA-N- Summenformel
- C10H11NO
- Durchschnittliche Molmasse
- 161,2 g/mol
- Monoisotopische Masse
- 161,08406397
Namen und Bezeichner
- Bevorzugter Name
- 2,4,5-Trimethylphenyl isocyanate
- IUPAC
- 1-isocyanato-2,4,5-trimethylbenzene
- Englischer Name
- Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)
- Summenformel
- C10H11NO
- Molmasse
- 161.2
Namen und Synonyme
2,4,5-TRIMETHYLPHENYL ISOCYANATERefChem:442801632-947-61-Isocyanato-2,4,5-trimethylbenzene85324-94-3BENZENE, 1-ISOCYANATO-2,4,5-TRIMETHYL-SCHEMBL1191608DTXSID20510055MAIFYUSBGLFXDA-UHFFFAOYSA-NDB-273906EN300-1835831Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)
Datenbank-Bezeichner
- CAS
85324-94-3- PubChem CID
- 12793517
- DTXSID
DTXSID20510055- EC Number
- 632-947-6
- Nikkaji
- J1.537.407A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 196
Physikochemische Eigenschaften
- Siedepunkt
- 100 · 100-101 °C(Press: 12 Torr)
- Dichte
- 0.98 · 0.98±0.1 g/cm3(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
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]；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, 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 38 reports by companies from 1 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%)；STOT SE 3 (100%)
Sicherheitsdaten
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 23-26-36
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