4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine

HCID 244066

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Grundinformationen

CAS: 2103-91-5
Standard-SMILES: Cc1ccc(-c2csc(N)n2)cc1
InChIKey: ARLHWYFAPHJCJT-UHFFFAOYSA-N
Summenformel: C10H10N2S
Durchschnittliche Molmasse: 190,27 g/mol
Monoisotopische Masse: 190,0564695

Namen und Bezeichner

Bevorzugter Name: 4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
IUPAC: 4-(4-methylphenyl)-1,3-thiazol-2-amine
Englischer Name: 2-Amino-4-(p-tolyl)thiazole
Summenformel: C10H10N2S
Molmasse: 190.27

Namen und Synonyme

DTXSID609433284-(4-methylphenyl)-1,3-thiazol-2(3H)-imineRefChem:1069977DTXCID2013716982103-91-54-(4-methylphenyl)-1,3-thiazol-2-amine4-(p-tolyl)thiazol-2-amine2-Amino-4-(p-tolyl)thiazole4-p-Tolyl-thiazol-2-ylamine2-thiazolamine, 4-(4-methylphenyl)-MFCD001702644-p-tolylthiazol-2-amine

Weitere Namen anzeigen

AURORA 5316AKOS BC-1557TOSLAB 14874AKOS B000327AKOS BBS-00000483BUTTPARK 41\03-45IFLAB-BB F0777-0809

4-(4-Methylphenyl)-2-thiazolamine4-p-Tolylthiazol-2-ylamine4-(4-methylphenyl)-1,3-thiazole-2-ylamineNSC54436NSC 544364-(p-Tolyl)-2-thiazolamineMLS0026676872-AMINO-4-(4-METHYLPHENYL)THIAZOLE

Datenbank-Bezeichner

CAS: 2103-91-5
PubChem CID: 244066
DTXSID: DTXSID60943328
ChEMBL: CHEMBL1716073
EC Number: 626-896-9
Nikkaji: J580.611I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 67,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 166

Physikochemische Eigenschaften

Schmelzpunkt: 132 · 132-136 °C (lit.)
Siedepunkt: 369.4 · 369.4±11.0 °C(Predicted)
Dichte: 1.219 · 1.219±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 4.51 · 4.51±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
BRN: 143563 · 143563
InChI: 1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey: ARLHWYFAPHJCJT-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)-c2csc(N)n2
CAS Datenbank: 2103 · 2103-91-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 2934.10.2000
risk_code: 20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral