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HCID 77849Erstellt: 2. November 2026

5,6-Dimethyl-1H-benzotriazol

5,6-DIMETHYL-1H-BENZOTRIAZOLE · TIMTEC-BB SBB004093 · 5,6-Dimethylbenzotriazole · 5,6-dimethylazimidobenzene · 1H-Benzotriazole, 5,6-dimethyl- · 5,6-DIMETHYL-1,2,3-BENZOTRIAZOLE · 5,6-DIMETHYLAZIMIDOBENZENE HYDRATE · 5,6-Dimethyl-1H-1,2,3-benzotriazole

https://huagongshe.com/de/chemical/77849

Molekülstruktur von 5,6-Dimethyl-1H-benzotriazol

Identifikatoren & physikalische Daten

CAS No.	4184-79-6
Summenformel	C8H9N3
Durchschnittliche Molmasse	147,18 g/mol
Monoisotopische Masse	147,0796473 g/mol
SMILES	Cc1cc2n[nH]nc2cc1C
InChIKey	MVPKIPGHRNIOPT-UHFFFAOYSA-N
PubChem CID	77849
EC No.	224-058-3
DTXSID	DTXSID70881186
Lokaler Name	5,6-Dimethyl-1H-benzotriazol

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	41,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	132
Collision Cross Section	131.25 Å² [M+H]+
Schmelzpunkt	152-156 °C(lit.)
Siedepunkt	373.5±11.0 °C(Predicted)
Dichte	1.217±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
pKa (Säurekonstante)	8.92±0.40(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	Yellow to brown
BRN	122933
InChI	InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
InChIKey	MVPKIPGHRNIOPT-UHFFFAOYSA-N
SMILES	N1C2=CC(C)=C(C)C=C2N=N1
CAS Datenbank	4184-79-6(CAS DataBase Reference)

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 44 reports by companies from 4 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
Zollcode	29339980
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39

CAS No.

4184-79-6

Summenformel

C8H9N3

Durchschnittliche Molmasse

147,18 g/mol

Monoisotopische Masse

147,0796473 g/mol

SMILES

Cc1cc2n[nH]nc2cc1C

InChIKey

MVPKIPGHRNIOPT-UHFFFAOYSA-N

PubChem CID

77849

EC No.

224-058-3

DTXSID

DTXSID70881186

Lokaler Name

5,6-Dimethyl-1H-benzotriazol

Chemische & physikalische Eigenschaften

XLogP

1,8

Polarare Oberfläche (TPSA)

41,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

132

Collision Cross Section

131.25 Å² [M+H]+

Schmelzpunkt

152-156 °C(lit.)

Siedepunkt

373.5±11.0 °C(Predicted)

Dichte

1.217±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

pKa (Säurekonstante)

8.92±0.40(Predicted)

Aggregatzustand

Crystalline Powder

Farbe

Yellow to brown

BRN

122933

InChI

InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)

InChIKey

MVPKIPGHRNIOPT-UHFFFAOYSA-N

SMILES

N1C2=CC(C)=C(C)C=C2N=N1

CAS Datenbank

4184-79-6(CAS DataBase Reference)

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 44 reports by companies from 4 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)

Zollcode

29339980

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-37/39