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HCID 75656Erstellt: 3. November 2026

1-(Methylthio)-3-nitrobenzol

Methyl(3-nitrophenyl)sulfane · 3-Nitrothioanosole · 3-NITRO THIOANSOLE · 3-Nitro thioanisole · Methyl(3-nitrophenyl) · 3-Nitrothioanisole>3-NITRO THIOANISOLE 98%MIN · METHYL 3-NITROPHENYL SULFIDE · 1-(methylthio)-3-nitrobenzene

https://huagongshe.com/de/chemical/75656

Molekülstruktur von 1-(Methylthio)-3-nitrobenzol

Identifikatoren & physikalische Daten

CAS No.	2524-76-7
Summenformel	C7H7NO2S
Durchschnittliche Molmasse	169,2 g/mol
Monoisotopische Masse	169,01974964 g/mol
SMILES	CSc1cccc([N+](=O)[O-])c1
InChIKey	GBGVXOUUXAIELM-UHFFFAOYSA-N
PubChem CID	75656
EC No.	219-761-7
DTXSID	DTXSID30179899
Lokaler Name	1-(Methylthio)-3-nitrobenzol

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	71,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	146
Schmelzpunkt	14 °C
Siedepunkt	92 °C / 1mmHg
Dichte	1.29
Brechungsindex	1.6160 to 1.6200
Lagerbedingungen	2-8°C, stored under nitrogen
Aggregatzustand	clear liquid
Farbe	Light yellow to Yellow to Orange
CAS Datenbank	2524-76-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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 (100%)Skin Sens. 1 (97.5%)
Zollcode	2930909899
Gefahrensymbole	Xi
Gefahrenklasse	IRRITANT, STENCH

CAS No.

2524-76-7

Summenformel

C7H7NO2S

Durchschnittliche Molmasse

169,2 g/mol

Monoisotopische Masse

169,01974964 g/mol

SMILES

CSc1cccc([N+](=O)[O-])c1

InChIKey

GBGVXOUUXAIELM-UHFFFAOYSA-N

PubChem CID

75656

EC No.

219-761-7

DTXSID

DTXSID30179899

Lokaler Name

1-(Methylthio)-3-nitrobenzol

Chemische & physikalische Eigenschaften

XLogP

2,5

Polarare Oberfläche (TPSA)

71,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

146

Schmelzpunkt

14 °C

Siedepunkt

92 °C / 1mmHg

Dichte

1.29

Brechungsindex

1.6160 to 1.6200

Lagerbedingungen

2-8°C, stored under nitrogen

Aggregatzustand

clear liquid

Farbe

Light yellow to Yellow to Orange

CAS Datenbank

2524-76-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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 (100%)Skin Sens. 1 (97.5%)

Zollcode

2930909899

Gefahrensymbole

Gefahrenklasse

IRRITANT, STENCH