5,6-Dimethylbenzimidazol

5,6-Dimethylbenzimidazole

HCID 675

Grundinformationen

CAS
582-60-5
Standard-SMILES
Cc1cc2nc[nH]c2cc1C
InChIKey
LJUQGASMPRMWIW-UHFFFAOYSA-N
Summenformel
C9H10N2
Durchschnittliche Molmasse
146,19 g/mol
Monoisotopische Masse
146,08439833

Namen und Bezeichner

Bevorzugter Name
5,6-Dimethylbenzimidazole
IUPAC
5,6-dimethyl-1H-benzimidazole
Lokaler Name
5,6-Dimethylbenzimidazol
Englischer Name
5,6-Dimethylbenzimidazole
Summenformel
C9H10N2
Molmasse
146.19

Namen und Synonyme

5,6-Dimethylbenzimidazole582-60-55,6-Dimethyl-1H-benzimidazoleDimedazolDimedazoleDimesol1H-Benzimidazole, 5,6-dimethyl-DimezoldimethylbenzimidazoleBenzimidazole, 5,6-dimethyl-5,6-dimethyl-1H-1,3-benzodiazole553XI1DS20
Weitere Namen anzeigen
C031145,6-DBINSC68316AI3-52806
NSC-68316CHEBI:15890DTXSID70870631RefChem:528118CHEBI:23809DTXCID10818335209-488-15,6-dimethyl-1H-benzo[d]imidazole

Datenbank-Bezeichner

CAS
582-60-5
PubChem CID
675
DTXSID
DTXSID70870631
ChEMBL
CHEMBL351132
ChEBI
CHEBI:15890
UNII
553XI1DS20
EC Number
209-488-1
Nikkaji
J69.209C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
28,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

LogP · 2 Einträge

2.35

1.854

Melting Point · 2 Einträge

205.5

205.5 °C

Physical DescriptionSolid
Collision Cross Section · 3 Einträge

129.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];130.3 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

127.73 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)];129.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

130 Ų [M-H]-;130.4 Ų [M+H]+

Physikochemische Eigenschaften

Schmelzpunkt
202 · 202-205 °C (lit.)
Siedepunkt
255.81 °C · 255.81°C (rough estimate)
Dichte
1.0976 · 1.0976 (rough estimate)
Brechungsindex
1.56 · 1.5600 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
Soluble in ethanol (50 mg/ml).

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 6 reports by companies.;There are 2 notifications provided by 3 of 6 reports by companies with hazard statement code(s).;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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21166
Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (16.7%);Aquatic Chronic 3 (33.3%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21166

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29339990
RTECS-Nr.
DD8280000
safety_code
24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsProstate
Cellular LocationsMembrane
Metabolite PathwaysRiboflavin Metabolism

Verwendung und Herstellung

General Manufacturing Information1H-Benzimidazole, 5,6-dimethyl-: INACTIVE

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安徽省大利生物科技有限责任公司15705632007

Ergänzende Hinweise

DefinitionChEBI: A dimethylbenzimidazole carrying methyl substituents at positions 5 and 6.

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