2,4-Dichlorobenzyl isocyanate

HCID 4612708

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Grundinformationen

CAS: 19654-32-1
Standard-SMILES: O=C=NCc1ccc(Cl)cc1Cl
InChIKey: FUIUATRKBRZCQD-UHFFFAOYSA-N
Summenformel: C8H5Cl2NO
Durchschnittliche Molmasse: 202,03 g/mol
Monoisotopische Masse: 200,9748192

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichlorobenzyl isocyanate
IUPAC: 2,4-dichloro-1-(isocyanatomethyl)benzene
Englischer Name: 2,4-DICHLOROBENZYL ISOCYANATE
Summenformel: C8H5Cl2NO
Molmasse: 202.04

Namen und Synonyme

2,4-Dichlorobenzyl isocyanate19654-32-1DTXSID50404877RefChem:246338DTXCID70355731625-504-32,4-dichloro-1-(isocyanatomethyl)benzene2,4-dichlorobenzylisocyanateSCHEMBL785031SCHEMBL30438794FUIUATRKBRZCQD-UHFFFAOYSA-N2,4-Dichlorobenzyl isocyanate, 98%

Weitere Namen anzeigen

2,4-Dichlorobenzyl isocyanate 98%Benzene, 2,4-dichloro-1-(isocyanatomethyl)-

AKOS0158913032,4-dichloro-1-isocyanatomethyl-benzeneDB-065911G77514EN300-1968009

Datenbank-Bezeichner

CAS: 19654-32-1
PubChem CID: 4612708
DTXSID: DTXSID50404877
EC Number: 625-504-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Siedepunkt: 273 °C · 273 °C (lit.)
Dichte: 1.388 g/mL · 1.388 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.565(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Crystalline Powder
Farbe: White to yellow to light brown
InChI: 1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2
InChIKey: FUIUATRKBRZCQD-UHFFFAOYSA-N
SMILES: Clc1ccc(CN=C=O)c(Cl)c1
CAS Datenbank: 19654 · 19654-32-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 39 reports by companies from 2 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

wgk: 3
ridadr: UN 2206 6.1/PG 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichlorobenzyl isocyanate may be used in the preparation of N-(2,5-dichlorobenzyl)-1-(4-methoxybenzyl)-4,5-dihydro-1H-imidazol-2-amine.