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HCID 90021Erstellt: 24. Oktober 2026

3-Chlor-6-isothiocyanatotoluol

4-Chloro-2-methyl isothiocyanate · 4-Chloro-o-tolyl isothiocyanate · 3-chloro-6-isothiocyanatotoluene · 4-Chloro-2-methylphenyl isothiocyanate · 4-Chloro-2-methylphenyl isothiocyate, 98% · 4-Chloro-1-isothiocyanato-2-methylbenzene · 4-Chloro-2-methylphenyl isothiocyanate-97% · Benzene, 4-chloro-1-isothiocyanato-2-methyl-

https://huagongshe.com/de/chemical/90021

Molekülstruktur von 3-Chlor-6-isothiocyanatotoluol

Identifikatoren & physikalische Daten

CAS No.23165-53-9
SummenformelC8H6ClNS
Durchschnittliche Molmasse183,66 g/mol
Monoisotopische Masse182,99094787 g/mol
SMILESCc1cc(Cl)ccc1N=C=S
InChIKeyXTYLRVPBHHRTMS-UHFFFAOYSA-N
PubChem CID90021
EC No.245-472-0
DTXSIDDTXSID60177747
Lokaler Name3-Chlor-6-isothiocyanatotoluol

Chemische & physikalische Eigenschaften

XLogP4,6
Polarare Oberfläche (TPSA)44,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität177
Schmelzpunkt33-35°C
Siedepunkt88-90°C 0,4mm
Dichte1.18±0.1 g/cm3(Predicted)
Flammpunkt88-90°C/0.4mm
BRN2963683
CAS Datenbank23165-53-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, 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, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
UN-Transportnummer2811
R-Sätze (R)23/24/25
Sicherheitshinweise (S)23-26-36/37/39-45
Gefahrenklasse8
VerpackungsgruppeIII