1-Chloro-3-isothiocyanato-2-methylbenzene

HCID 140504CAS 19241-35-1

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Grundinformationen

Standard-SMILES: Cc1c(Cl)cccc1N=C=S
InChIKey: ZXEZATIRZLJXFU-UHFFFAOYSA-N
Summenformel: C8H6ClNS
Durchschnittliche Molmasse: 183,66 g/mol
Monoisotopische Masse: 182,9909481

Namen und Bezeichner

Bevorzugter Name: 1-Chloro-3-isothiocyanato-2-methylbenzene
IUPAC: 1-chloro-3-isothiocyanato-2-methylbenzene
Englischer Name: 3-CHLORO-2-METHYLPHENYL ISOTHIOCYANATE
Summenformel: C8H6ClNS
Molmasse: 183.66

Namen und Synonyme

1-chloro-3-isothiocyanato-2-methylbenzeneRefChem:431337671-002-219241-35-13-Chloro-2-Methylphenyl Isothiocyanate3-Chloro-2-methylphenylisothiocyanateBenzene, 1-chloro-3-isothiocyanato-2-methyl-MFCD00022056Isothiocyanic acid, 3-chloro-o-tolyl ester3-Chloro-o-tolyl ester Isothiocyanic acid,3-Chloro-2-methylphenyl isothiocyanate3-chloro-2-methylbenzenisothiocyanateBenzene,1-chloro-3-isothiocyanato-2-methyl-

Weitere Namen anzeigen

3-Chloro-2-methylphenyl isothiocyate, 98%3-chloride-2-methyl benzene isothiocyanate3-Chloro-2-methylphenyl isothiocyanate ,97%3-Chloro-2-methylphenyl isothiocyanate ,93%3-Chloro-o-tolyl ester Isothiocyanic acid

NSC134676SCHEMBL945215DTXSID40172831ZXEZATIRZLJXFU-UHFFFAOYSA-NAKOS BBS-00000579SBB0384433-chloro-2-methylphenyl-isothiocyanateAKOS000268591

Datenbank-Bezeichner

CAS: 19241-35-1
PubChem CID: 140504
DTXSID: DTXSID40172831
EC Number: 671-002-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Siedepunkt: 99 °C · 99 °C(Press: 2-3 Torr)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
CAS Datenbank: 19241 · 19241-35-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (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 exposure; Respiratory 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.