1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-

HCID 76717

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3237-62-5
Standard SMILES: CCn1c(C)nc2cc(Cl)c(Cl)cc21
InChIKey: IVVLMQPTQOLYDX-UHFFFAOYSA-N
Molecular formula: C10H10Cl2N2
Average molar mass: 229.1 g/mol
Monoisotopic mass: 228.02210368

Names & identifiers

Preferred name: 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
IUPAC: 5,6-dichloro-1-ethyl-2-methylbenzimidazole
English name: 5,6-Dichloro-1-ethyl-2-methylbenzimidazole
Molecular formula: C10H10Cl2N2
Molecular weight: 229.11

Names & synonyms

3237-62-55,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole1-Ethyl-2-methyl-5,6-dichlorobenzimidazole1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-EINECS 221-797-3DTXSID0062925RefChem:438078DTXCID7038498221-797-35,6-Dichloro-1-ethyl-2-methylbenzimidazole5,6-dichloro-1-ethyl-2-methyl-1H-benzo[d]imidazoleMFCD00022843

Show more names

1-Ethyl-2-Methyl-5,6-Dichlorodichloroethylmethylbenzimidazole1-ethyl-2-methyl-1H-benzo[d]imidazoleN-ETHYL-2-METHYL-5,6-DICHLOROBENZIMIDAZOLE1-ETHYL-2-METHYL-5,6-DICHLORO BENZIMIDAZOLE5,6-Dichlor-1-ethyl-2-methyl-1H-benzimidazol5,6-dichloro-1-ethyl-2-methyl-1h-benzimidazol5,6-Dichloro-1-ethyl-2-methylbenzimidazole>5,6-dichloro-1-ethyl-2-methyl-1H-Benzimidazole

4JP6U95GAG5,6-dichloro-1-ethyl-2-methyl-benzimidazole5,6-dichloro-1-ethyl-2-methylbenzoimidazoleD25565,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzimidazoleF9995-03395,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazoleCambridge id 5233666

Database identifiers

CAS: 3237-62-5
PubChem CID: 76717
DTXSID: DTXSID0062925
ChEMBL: CHEMBL5489625
UNII: 4JP6U95GAG
EC Number: 221-797-3
Nikkaji: J38.297C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 110 °C · 110°C
Boiling point: 195 °C · 195 °C / 4mmHg
Density: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 4.59 · 4.59±0.25(Predicted)
color: White to Light yellow to Light orange
CAS DataBase Reference: 3237 · 3237-62-5(CAS DataBase Reference)
FDA UNII: 4 JP6U95GAG · 4JP6U95GAG
EPA Substance Registry System: 1 H-Benzimidazole, · 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl- (3237-62-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-/37/39-36-27
TSCA: TSCA listed
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (97.5%)

Safety data

tsca: TSCA listed
hs_code: 2933998090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-/37/39-36-27
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313