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HCID 19313Erstellt: 2. November 2026

4-Butylbenzol-1,2-diamin

4-Butylbenzol-1,2-diamin · 4-Butyl-1,2-benzenediamine · 3,4-Diamino-1-butylbenzene · 4-butylbenzene-1,2-diamine · 1,2-BENZENEDIAMINE,4-BUTYL- · 4-butylbenzene-1,2-diamine C10H16N2 164.25

https://huagongshe.com/de/chemical/19313

Molekülstruktur von 4-Butylbenzol-1,2-diamin

Identifikatoren & physikalische Daten

CAS No.	3663-23-8
Summenformel	C10H16N2
Durchschnittliche Molmasse	164,25 g/mol
Monoisotopische Masse	164,13134851 g/mol
SMILES	CCCCc1ccc(N)c(N)c1
InChIKey	WQEGHHLKDKIWKM-UHFFFAOYSA-N
PubChem CID	19313
EC No.	222-917-7
DTXSID	DTXSID3063120
Lokaler Name	4-Butylbenzol-1,2-diamin

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	52
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	125
Stoffklassen	Nitrogen Compounds -> Amines, Aromatic
Dampfdruck	0.000174 [mmHg]
Schmelzpunkt	38 °C
Siedepunkt	302.3±22.0 °C(Predicted)
Dichte	1.027±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	4.46±0.10(Predicted)
EPA chemische Informationen	1,2-Benzenediamine, 4-butyl- (3663-23-8)

Sicherheit & Vorschriften

Gefahrenübersicht	Emergency treatment: Methemoglobinemia[HSDB]
Special Reports	EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED REGIST 47(5) 973 (1982)]
TSCA-Anforderungen	Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Butyl-1,2-benzenediamine is included on this list.
Entsorgungsverfahren	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Unerwünschte Wirkungen	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
TSCA-Inventar-Status	TSCA listed
Gefahrstoffdaten	3663-23-8(Hazardous Substances Data)

CAS No.

3663-23-8

Summenformel

C10H16N2

Durchschnittliche Molmasse

164,25 g/mol

Monoisotopische Masse

164,13134851 g/mol

SMILES

CCCCc1ccc(N)c(N)c1

InChIKey

WQEGHHLKDKIWKM-UHFFFAOYSA-N

PubChem CID

19313

EC No.

222-917-7

DTXSID

DTXSID3063120

Lokaler Name

4-Butylbenzol-1,2-diamin

Chemische & physikalische Eigenschaften

XLogP

2,1

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

125

Stoffklassen

Nitrogen Compounds -> Amines, Aromatic

Dampfdruck

0.000174 [mmHg]

Schmelzpunkt

38 °C

Siedepunkt

302.3±22.0 °C(Predicted)

Dichte

1.027±0.06 g/cm3(Predicted)

pKa (Säurekonstante)

4.46±0.10(Predicted)

EPA chemische Informationen

1,2-Benzenediamine, 4-butyl- (3663-23-8)

Sicherheit & Vorschriften

Gefahrenübersicht

Emergency treatment: Methemoglobinemia[HSDB]

Special Reports

EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED REGIST 47(5) 973 (1982)]

TSCA-Anforderungen

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Butyl-1,2-benzenediamine is included on this list.

Entsorgungsverfahren

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Unerwünschte Wirkungen

Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect

TSCA-Inventar-Status

TSCA listed

Gefahrstoffdaten

3663-23-8(Hazardous Substances Data)