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HCID 74895Erstellt: 27. Oktober 2026

2,5-Dinitrothiophen-2-amin

3,5-dinitrothiophen-2-amine · ADNT · 2-Amino-3,5-dinitrot · 3,5-dinitro-2-thiophenamin · 3,5-Dinitro-2-thiophenamine · 2,5-dinitrothiophen-2-amine · 3,5-Dinitro-2-aminothiophene · 2-AMINO-3,5-DINITROTHIOPHENE

https://huagongshe.com/de/chemical/74895

Molekülstruktur von 2,5-Dinitrothiophen-2-amin

Identifikatoren & physikalische Daten

CAS No.	2045-70-7
Summenformel	C4H3N3O4S
Durchschnittliche Molmasse	189,15 g/mol
Monoisotopische Masse	188,98442658 g/mol
SMILES	Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey	DZRZHFOFVWAKGT-UHFFFAOYSA-N
PubChem CID	74895
EC No.	218-065-0
DTXSID	DTXSID1062128
Lokaler Name	2,5-Dinitrothiophen-2-amin

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	146
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	211
Schmelzpunkt	174-176 °C(lit.)
Siedepunkt	422.0±40.0 °C(Predicted)
Dichte	1.715 (estimate)
Brechungsindex	1.6320 (estimate)
pKa (Säurekonstante)	-5.08±0.10(Predicted)
InChI	1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2
InChIKey	DZRZHFOFVWAKGT-UHFFFAOYSA-N
SMILES	Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O
CAS Datenbank	2045-70-7(CAS DataBase Reference)
EPA chemische Informationen	2-Thiophenamine, 3,5-dinitro- (2045-70-7)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	36/37/38-20/21/22
Gefahrensymbole	Xi,Xn
Sicherheitshinweise (S)	26-36-37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

CAS No.

2045-70-7

Summenformel

C4H3N3O4S

Durchschnittliche Molmasse

189,15 g/mol

Monoisotopische Masse

188,98442658 g/mol

SMILES

Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]

InChIKey

DZRZHFOFVWAKGT-UHFFFAOYSA-N

PubChem CID

74895

EC No.

218-065-0

DTXSID

DTXSID1062128

Lokaler Name

2,5-Dinitrothiophen-2-amin

Chemische & physikalische Eigenschaften

XLogP

1,8

Polarare Oberfläche (TPSA)

146

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

211

Schmelzpunkt

174-176 °C(lit.)

Siedepunkt

422.0±40.0 °C(Predicted)

Dichte

1.715 (estimate)

Brechungsindex

1.6320 (estimate)

pKa (Säurekonstante)

-5.08±0.10(Predicted)

InChI

1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2

InChIKey

DZRZHFOFVWAKGT-UHFFFAOYSA-N

SMILES

Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O

CAS Datenbank

2045-70-7(CAS DataBase Reference)

EPA chemische Informationen

2-Thiophenamine, 3,5-dinitro- (2045-70-7)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

R-Sätze (R)

36/37/38-20/21/22

Gefahrensymbole

Xi,Xn

Sicherheitshinweise (S)

26-36-37/39

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Eye Irrit. 2Skin Irrit. 2STOT SE 3