4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine

Modify Date: 2025-09-16 19:23:45

4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine structure	Common Name	4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine
	CAS Number	128554-92-7	Molecular Weight	341.42700
	Density	1.303g/cm3	Boiling Point	517ºC at 760mmHg
	Molecular Formula	C₁₈H₁₉N₃O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	266.5ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.303g/cm3
Boiling Point	517ºC at 760mmHg
Molecular Formula	C₁₈H₁₉N₃O₂S
Molecular Weight	341.42700
Flash Point	266.5ºC
Exact Mass	341.12000
PSA	89.33000
LogP	5.99550
Vapour Pressure	8.53E-11mmHg at 25°C
Index of Refraction	1.706
InChIKey	KWNLYGVTFCMQRP-UHFFFAOYSA-N
SMILES	CCN(CC)c1ccc(Nc2c([N+](=O)[O-])sc3ccccc23)cc1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ1584000

CHEMICAL NAME :: 1,4-Benzenediamine, N,N-diethyl-N'-(2-nitrobenzo(b)thien-3-yl)-

CAS REGISTRY NUMBER :: 128554-92-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C18-H19-N3-O2-S

MOLECULAR WEIGHT :: 341.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 45,29,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 45,29,1990

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 2
CAS#:17402-78-7 3-Bromo-2-nitro... CAS#:93-05-0 N,N-Diethyl-1,4...
DownStream 0

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: Molecular weight of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is 341.42700.

Q: What is the polar surface area (PSA) of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: Polar surface area (PSA) of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is 89.33000.

Q: What is the LogP of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: LogP of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is 5.99550.

Q: What is the molecular formula of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: Molecular formula of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is C18H19N3O2S.

Q: What is the SMILES notation of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: SMILES notation of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2c([N+](=O)[O-])sc3ccccc23)cc1.

Q: What is the Chinese name of 128554-92-7?

A: Chinese name of 128554-92-7 is 128554-92-7.

Q: What is the InChIKey of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: InChIKey of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is KWNLYGVTFCMQRP-UHFFFAOYSA-N.

Q: What is the CAS number of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: CAS number of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is 128554-92-7.

Q: What is the English name of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: The English name of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine.

Q: What is the boiling point of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine?

A: Boiling point of 4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine is 517ºC at 760mmHg.

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4-N,4-N-diethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine

Names

Chemical & Physical Properties

Toxicological Information