3-Chlor-4-methylphenylisocyanat

3-Chloro-4-methylphenyl isocyanate

HCID 62832CAS 28479-22-3

Grundinformationen

Standard-SMILES
Cc1ccc(N=C=O)cc1Cl
InChIKey
UKTKKMZDESVUEE-UHFFFAOYSA-N
Summenformel
C8H6ClNO
Durchschnittliche Molmasse
167,59 g/mol
Monoisotopische Masse
167,01379149

Überblick

3-chloro-4-methylphenyl isocyanate appears as a colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
3-Chloro-4-methylphenyl isocyanate
IUPAC
2-chloro-4-isocyanato-1-methylbenzene
Lokaler Name
3-Chlor-4-methylphenylisocyanat
Englischer Name
3-Chloro-4-methylphenyl isocyanate
Summenformel
C8H6ClNO
Molmasse
167.59

Namen und Synonyme

3-Chloro-4-methylphenyl isocyanate28479-22-3Benzene, 2-chloro-4-isocyanato-1-methyl-EINECS 249-050-7DTXSID5067390EC 249-050-7RefChem:93444DTXCID9037826CHLOROMETHYLPHENYLISOCYANATE3-CHLORO-4-TOLYL ISOCYANATEISOCYANIC ACID, 3-CHLORO-P-TOLYL ESTER2-chloro-4-isocyanato-1-methylbenzene
Weitere Namen anzeigen
3-Chlor-p-tolylisocyanat3-chloro-p-tolyl isocyanate2-CHLORO-4-ISOCYANATO-TOLUENE3-Chloro-4-MethylPhenylIsocynate3-Chlore-4-methylphenyl isocyanateIsocyanato-3-chloro-4-methyl benzene3-Chloro-4-methylphenylIsocyanate>3-Chloro-4-methylphenyl isocyanate-98%3-Chloro-4-methylphenyl isocyanate ,99%
3-Chloro-4-methylphenylisocyanateMFCD000138582-chloro-4-isocyanato-1-methyl-benzeneIsocyanic Acid 3-Chloro-4-methylphenyl Ester3-chloro-4-methyl phenyl isocyanateSCHEMBL603733-chlor-4-methylphenylisocyanatSCHEMBL29794124

Datenbank-Bezeichner

CAS
28479-22-3、51488-20-1
PubChem CID
62832
DTXSID
DTXSID5067390
EC Number
249-050-7
Nikkaji
J68.770G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
29,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 2nd degree
Physical Description3-chloro-4-methylphenyl isocyanate appears as a colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Physikochemische Eigenschaften

Schmelzpunkt
20 · 20-24℃
Siedepunkt
107 °C/3 · 107 °C/3 mmHg (lit.)
Dichte
1.224 g/mL · 1.224 g/mL at 25 °C (lit.)
Dampfdruck
13.5 Pa · 13.5Pa at 25℃
Brechungsindex
20 · n20/D 1.557(lit.)
Flammpunkt
229 °F · 229 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1895

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison
Fire Hazards · 3 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· Combustible material: may burn but does not ignite readily.

· Combustible material: may burn but does not ignite readily.

Health Hazards · 3 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

DOT ID and Guide · 2 Einträge

2236 156

3428 156

Reactive GroupIsocyanates and Isothiocyanates

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures · 4 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

General First Aid:

General First Aid:

Exposure Control and Personal Protection · 2 Einträge

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation · 3 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

Immediate precautionary measure

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 3428 6.1/PG II (3-CHLORO-4-METHYLPHENYL ISOCYANATE, SOLID)
hs_code
29291090
risk_code
20/21/22-36/37/38-42
hazard_code
Xn

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 2-chloro-4-isocyanato-1-methyl-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden3-Chloro-4-methylphenyl isocyanate may be used in the synthesis of the following urea compounds:1-(1-(1-adamantyl)methyl)-3-(3-chloro-4-methylphenyl)urea1-(3-chloro-4-methylphenyl)-3-heptylurea1-(3-chloro-4-methylphenyl)-3-cyclooctylurea1-(3-chloro-4-methylphenyl)-3-(3-fluorobenzyl)urea1-(3-chloro-4-methylphenyl)-3-(4-phenylbutan-2-yl)urea

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