1-Chloro-3-isothiocyanato-2-methylbenzene

AKOS BBS-00000579 · 3-CHLORO-2-METHYLPHENYL ISOTHIOCYANATE · 1-CHLORO-3-ISOTHIOCYANATO-2-METHYLBENZENE · 3-Chloro-2-methylphenyl isothiocyate, 98% · 3-chloride-2-methyl benzene isothiocyanate · 3-Chloro-2-methylphenyl isothiocyanate ,97% · 3-Chloro-2-methylphenyl isothiocyanate ,93% · 3-Chloro-o-tolyl ester Isothiocyanic acid

https://huagongshe.com/de/chemical/140504

Molekülstruktur von 1-Chloro-3-isothiocyanato-2-methylbenzene

Identifikatoren & physikalische Daten

CAS No.	19241-35-1
Summenformel	C8H6ClNS
Durchschnittliche Molmasse	183,66 g/mol
Monoisotopische Masse	182,9909481 g/mol
SMILES	Cc1c(Cl)cccc1N=C=S
InChIKey	ZXEZATIRZLJXFU-UHFFFAOYSA-N
PubChem CID	140504
EC No.	671-002-2
DTXSID	DTXSID40172831

Chemische & physikalische Eigenschaften

XLogP	4,3
Polarare Oberfläche (TPSA)	44,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	177
Siedepunkt	99 °C(Press: 2-3 Torr)
Dichte	1.18±0.1 g/cm3(Predicted)
CAS Datenbank	19241-35-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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, 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 2 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Corr. 1B (100%)Eye Irrit. 2A (50%)STOT SE 3 (50%)
UN-Transportnummer	2810
Zollcode	29349990
R-Sätze (R)	20/21/22-36/37/38
Sicherheitshinweise (S)	26-36/37/39