2-Ethyl-6-methylphenyl isothiocyanate

HCID 144188CAS 66609-04-9

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Grundinformationen

Standard-SMILES: CCc1cccc(C)c1N=C=S
InChIKey: IPCSOFYQRXYMDN-UHFFFAOYSA-N
Summenformel: C10H11NS
Durchschnittliche Molmasse: 177,27 g/mol
Monoisotopische Masse: 177,06122053

Namen und Bezeichner

Bevorzugter Name: 2-Ethyl-6-methylphenyl isothiocyanate
IUPAC: 1-ethyl-2-isothiocyanato-3-methylbenzene
Englischer Name: 2-ETHYL-6-METHYLPHENYL ISOTHIOCYANATE
Summenformel: C10H11NS
Molmasse: 177.27

Namen und Synonyme

2-Ethyl-6-methylphenyl isothiocyanate66609-04-9DTXSID70216777RefChem:86926DTXCID00139268IPCSOFYQRXYMDN-UHFFFAOYSA-N1-Ethyl-2-isothiocyanato-3-methylbenzene2-ethyl-6-methylphenylisothiocyanateMFCD000410686-ethyl-2-methylbenzenisothiocyanate1-ethyl-2-isothiocyanato-3-methyl-benzeneSCHEMBL1018021

Weitere Namen anzeigen

2-Ethyl-6-methylphenyl isothiocyate2-Ethyl-6-methylphenyl isothiocyanate, 97%,Benzene, 1-ethyl-2-isothiocyanato-3-methyl-

SBB0893142-ethyl-6-methylphenyl-isothiocyanateAKOS003332697AS-81328SY061748DB-0210421-Ethyl-2-isothiocyanato-3-methylbenzene #ST50825106

Datenbank-Bezeichner

CAS: 66609-04-9
PubChem CID: 144188
DTXSID: DTXSID70216777
EC Number: 671-032-6
Nikkaji: J1.230.328I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 184

Physikochemische Eigenschaften

Siedepunkt: 88 °C · 88 °C
Dichte: 1.06 · 1.06
Brechungsindex: 1.612 · 1.6120
Flammpunkt: 88 · 88-91°C/1mm
Wichte: 1.06 · 1.06
BRN: 2360278 · 2360278
CAS Datenbank: 66609 · 66609-04-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (20%): 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, 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.；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.