2,5-Dichlorobenzimidazole

HCID 335473CAS 4887-95-0

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Basic information

Standard SMILES: Clc1ccc2nc(Cl)[nH]c2c1
InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N
Molecular formula: C7H4Cl2N2
Average molar mass: 187.029 g/mol
Monoisotopic mass: 185.97515349

Names & identifiers

Preferred name: 2,5-Dichlorobenzimidazole
IUPAC: 2,6-Dichloro-1H-benzimidazole
English name: 2,5-Dichlorobenzimidazole
Molecular formula: C7H4Cl2N2
Molecular weight: 187.03

Names & synonyms

Benzoimidazoleseries2,5-Dichlorobenzimidazole2,5-Dichlorobenzoimidazole2,5-DICHLORO-1H-BENZIMIDAZOLE2,6-Dichloro-1H-benzimidazole2,5-Dichloro-1H-benzoiMidazole1H-Benzimidazole, 2,6-dichloro-2,6-dichloro-1H-1,3-benzodiazole2,5-dichloro-1H-1,3-benzodiazole2,5-dichloro-1H-benzo[d]imidazole

Database identifiers

CAS: 4887-95-0
PubChem CID: 335473
DTXSID: DTXSID90319416
UNII: 85UMR74GY9
EC Number: 839-594-9

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 207 · 207-208 °C (decomp)
Boiling point: 364.5 · 364.5±34.0 °C(Predicted)
Density: 1.571 · 1.571±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 8.11 · 8.11±0.10(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N
SMILES: C1(Cl)NC2=CC(Cl)=CC=C2N=1
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H410
Precautionary statements: 261 · P261-P264-P273-P280-P391
WGK Germany: 3 · WGK 3
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)；Aquatic Acute 1 (50%)；Aquatic Chronic 1 (50%)

Safety data

wgk: WGK 3
hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07,GHS09
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H317-H319-H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P261-P264-P273-P280-P391