2,5-Dichlorphenylisocyanat

Benzene, 1,4-dichloro-2-isocyanato-

HCID 79360CAS 5392-82-5

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Grundinformationen

Standard-SMILES: O=C=Nc1cc(Cl)ccc1Cl
InChIKey: PEQMJVGRHNZPAM-UHFFFAOYSA-N
Summenformel: C7H3Cl2NO
Durchschnittliche Molmasse: 188,01 g/mol
Monoisotopische Masse: 186,9591691

Namen und Bezeichner

Bevorzugter Name: Benzene, 1,4-dichloro-2-isocyanato-
IUPAC: 1,4-dichloro-2-isocyanatobenzene
Lokaler Name: 2,5-Dichlorphenylisocyanat
Englischer Name: 2,5-DICHLOROPHENYL ISOCYANATE
Summenformel: C7H3Cl2NO
Molmasse: 188.01

Namen und Synonyme

2,5-Dichlorophenyl isocyanate5392-82-5Benzene, 1,4-dichloro-2-isocyanato-Isocyanic acid, 2,5-dichlorophenyl esterNSC 6302EINECS 226-396-7DTXSID4063826RefChem:562327DTXCID3041538226-396-71,4-Dichloro-2-isocyanatobenzene2,5-Dichlorophenylisocyanate

Weitere Namen anzeigen

2,5-Dichlorophenyl2,5-DICHLOROPHENYL CARBIMIDE1,4-dichloro-2-phenylisocyanate1,4-dichloro-2-isocyanato-benzen2,5-Dichlorophenylisocyanate-97%2,5-Dichlorophenyl Isocyanate >2,5-Dichlorophenyl isocyanate 97%

MFCD00002002NSC-6302Isocyanic Acid 2,5-Dichlorophenyl Esterdcpi2,5-dichlorobenzenisocyanateBMH358YGW4SCHEMBL785906SCHEMBL29507682

Datenbank-Bezeichner

CAS: 5392-82-5
PubChem CID: 79360
DTXSID: DTXSID4063826
UNII: BMH358YGW4
EC Number: 226-396-7
Nikkaji: J150.843A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 179

Physikochemische Eigenschaften

Schmelzpunkt: 28 · 28-30°C
Siedepunkt: 120 · 120-122°C 20mm
Dichte: 1.3256 · 1.3256 (rough estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
Flammpunkt: 110 °C · >110°C
storage temp.: 0 · 0-10°C
Aggregatzustand: Liquid or Low Melting Solid
Farbe: Clear to cloudy colorless to yellow or white to yellow
BRN: 388960 · 388960
CAS Datenbank: 5392 · 5392-82-5(CAS DataBase Reference)
EPA chemische Informationen: 1 · Benzene, 1,4-dichloro-2-isocyanato- (5392-82-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (86.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (13.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (86.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H334 (97.8%): 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, 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.；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. 3 (97.8%)；Acute Tox. 3 (86.7%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (86.7%)；Eye Irrit. 2 (100%)；Acute Tox. 2 (13.3%)；Acute Tox. 3 (86.7%)；Resp. Sens. 1 (97.8%)；STOT SE 3 (100%)