2,5-Dichlorobenzimidazole
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Basic information
- CAS
4887-95-0- 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 propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 28.7 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Related reactions
16 records
Compound notes
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