Grundinformationen
- Standard-SMILES
O=C=Nc1ccc(Cl)cc1Cl- InChIKey
OLBJNSPBWLCTOT-UHFFFAOYSA-N- Summenformel
- C7H3Cl2NO
- Durchschnittliche Molmasse
- 188,01 g/mol
- Monoisotopische Masse
- 186,95916908
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dichlorophenyl isocyanate
- IUPAC
- 2,4-dichloro-1-isocyanatobenzene
- Lokaler Name
- 2,4-Dichlorphenylisocyanat
- Englischer Name
- 2,4-Dichlorophenyl isocyanate
- Summenformel
- C7H3Cl2NO
- Molmasse
- 188.01
Namen und Synonyme
2,4-Dichlorophenyl isocyanateBenzene, 2,4-dichloro-1-isocyanato-EINECS 220-040-4DTXSID9074563EC 220-040-4RefChem:82394DTXCID0037449220-040-4OLBJNSPBWLCTOT-UHFFFAOYSA-N2612-57-92,4-Dichloro-1-isocyanatobenzene2,4-Dichlorophenylisocyanate
Weitere Namen anzeigen
TIMTEC-BB SBB0067202,4-Dichlorophenyl Isocyate2,4-DICHLOROISOCYANATOBENZENE2,4-dichlorobenzene isocyanate2,4-dichloro-1-phenylisocyanate1,3-dichloro-4-phenylisocyanate1,3-dichloro-4-isocyanatobenzene2,4-Dichlorophenylisocyanate-96%
2,4-DichlorophenylisocyantaeMFCD000020012,4-dichlorobenzenisocyanate2,4-Dichlorophenyl isocyantaeIsocyanic Acid 2,4-Dichlorophenyl Ester2,4-dichlorphenyl isocyanateSCHEMBL2276142,4-dichloro phenyl isocyanate
Datenbank-Bezeichner
- CAS
2612-57-9- PubChem CID
- 75789
- DTXSID
DTXSID9074563- EC Number
- 220-040-4
- Nikkaji
- J192.118E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 179
Physikochemische Eigenschaften
- Schmelzpunkt
- 59 · 59-60 °C
- Siedepunkt
- 80 °C · 80°C 1mm
- Dichte
- 1.3256 · 1.3256 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 80 °C/1mm · 80°C/1mm
- storage temp.
- 20 °C · Store at <= 20°C.
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- Wasserlöslichkeit
- decomposes
- BRN
- 2090780 · 2090780
- InChI
- 1S/C7H3Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
- InChIKey
- OLBJNSPBWLCTOT-UHFFFAOYSA-N
- SMILES
- Clc1ccc(N=C=O)c(Cl)c1
- CAS Datenbank
- 2612 · 2612-57-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Benzene, 2,4-dichloro-1-isocyanato- (2612-57-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, 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.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 27-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/5199
Hazard Classes and CategoriesAcute Tox. 3 (97.8%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2250
- hs_code
- 29291090
- risk_code
- 42-36/37/38-23/24/25-42/43
- hazard_code
- T,Xi
- hazard_note
- Irritant
- safety_code
- 45-38-36/37/39-28A-26-22
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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