3-Chlorphenylisocyanat

Benzene, 1-chloro-3-isocyanato-

HCID 17968CAS 2909-38-8

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Grundinformationen

Standard-SMILES: O=C=Nc1cccc(Cl)c1
InChIKey: HHIRBXHEYVDUAM-UHFFFAOYSA-N
Summenformel: C7H4ClNO
Durchschnittliche Molmasse: 153,56 g/mol
Monoisotopische Masse: 152,99814143

Namen und Bezeichner

Bevorzugter Name: Benzene, 1-chloro-3-isocyanato-
IUPAC: 1-chloro-3-isocyanatobenzene
Lokaler Name: 3-Chlorphenylisocyanat
Englischer Name: 3-Chlorophenyl isocyanate
Summenformel: C7H4ClNO
Molmasse: 153.57

Namen und Synonyme

3-CHLOROPHENYL ISOCYANATE2909-38-81-Chloro-3-isocyanatobenzenem-Chlorophenyl isocyanateBenzene, 1-chloro-3-isocyanato-3-ChloroisocyanatobenzeneIsocyanic acid, m-chlorophenyl esterm-Chlorfenylisokyanatm-Chlorfenylisokyanat [Czech]EINECS 220-822-5NSC 76588NSC-76588

Weitere Namen anzeigen

mcicmcpi3-Chlorophenyl3-Chlorophenyl isocy3-Chlorophenyl isocyate3-chlorophenylcarbonimidem-chlorophenylcarbonimide

Y54698FM83DTXSID1062702EC 220-822-5RefChem:562444DTXCID7037925220-822-53-ChlorophenylisocyanateIsocyanic Acid 3-Chlorophenyl Ester

Datenbank-Bezeichner

CAS: 2909-38-8
PubChem CID: 17968
DTXSID: DTXSID1062702
UNII: Y54698FM83
EC Number: 220-822-5
Nikkaji: J30.179E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 154

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -4 °C · -4 °C (lit.)
Siedepunkt: 113 · 113-114 °C/43 mmHg (lit.)
Dichte: 1.26 g/mL · 1.26 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.559(lit.)
Flammpunkt: 188 °F · 188 °F
storage temp.: 0 · 0-10°C
Löslichkeit: Decomposes
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
Geruch (Odor): irritating odor
Wasserlöslichkeit: Decomposes
BRN: 742445 · 742445
InChI: 1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey: HHIRBXHEYVDUAM-UHFFFAOYSA-N
SMILES: Clc1cccc(c1)N=C=O
CAS Datenbank: 2909 · 2909-38-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-chloro-3-isocyanato-(2909-38-8)
EPA chemische Informationen: m-Chlorophenyl isocyanate (2909-38-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (94.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Cease Manufacture Update: 27-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10915

Benzene, 1-chloro-3-isocyanato-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1C (94.4%)

Sicherheitsdaten

F: 19
wgk: 2
tsca: TSCA listed
ridadr: UN 2206 6.1/PG 2
hs_code: 29291090
RTECS-Nr.: NQ8560000
risk_code: 26-35-37-42-36/37/38
hazard_code: T+
safety_code: 23-26-28-36/37/39-45-38-37/39-28A-22
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1CSkin Sens. 1A

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-chloro-3-isocyanato-: ACTIVE

Anwendungen

Verwenden3-Chlorophenyl Isocyanate is an intermediate product in the manufacture of monuron, and m-chlorophenyl isocyanate (II). A useful research chemical.