2-Methylbenzo[b]thiophen

2-METHYLBENZOTHIOPHENE · 2-METHYLTHIANAPHTHENE · Benzo[b]thiophene, 2-methyl- · AKOS 92905 · 2-Methylthioindene · 2-Methyl-1-thiaindene · Benzothiophene, 2-methyl · 2-Methylthianaphthene 97%

https://huagongshe.com/de/chemical/70952

Molekülstruktur von 2-Methylbenzo[b]thiophen

Identifikatoren & physikalische Daten

CAS No.	1195-14-8
Summenformel	C9H8S
Durchschnittliche Molmasse	148,23 g/mol
Monoisotopische Masse	148,03467126 g/mol
SMILES	Cc1cc2ccccc2s1
InChIKey	BLZKSRBAQDZAIX-UHFFFAOYSA-N
PubChem CID	70952
EC No.	214-792-2
DTXSID	DTXSID80152470
Lokaler Name	2-Methylbenzo[b]thiophen

Chemische & physikalische Eigenschaften

XLogP	3,3
Polarare Oberfläche (TPSA)	28,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	122
LogP (Verteilungskoeffizient)	3.71
Schmelzpunkt	47-52 °C (lit.)
Siedepunkt	228.84°C (rough estimate)
Dichte	1.0794 (rough estimate)
Brechungsindex	1.6990 (estimate)
Flammpunkt	113 °C
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
Farbe	White to Orange to Green
InChI	1S/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
InChIKey	BLZKSRBAQDZAIX-UHFFFAOYSA-N
SMILES	Cc1cc2ccccc2s1
LogP (Verteilungskoeffizient)	3.710
CAS Datenbank	1195-14-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29349990
R-Sätze (R)	22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids