2,5,6-Trichloro-1H-benzimidazole

HCID 286009
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Basic information

CAS
16865-11-5
Standard SMILES
Clc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIKey
SUQYOUJCBGMSLV-UHFFFAOYSA-N
Molecular formula
C7H3Cl3N2
Average molar mass
221.5 g/mol
Monoisotopic mass
219.93618114

Names & identifiers

Preferred name
2,5,6-Trichloro-1H-benzimidazole
IUPAC
2,5,6-trichloro-1H-benzimidazole
English name
2,5,6-TRICHLORO-1H-BENZIMIDAZOLE
Molecular formula
C7H3Cl3N2
Molecular weight
221.47

Names & synonyms

16865-11-52,5,6-trichloro-1h-benzimidazole1H-Benzimidazole, 2,5,6-trichloro-DTXSID00301488RefChem:444013DTXCID40252622605-523-32,5,6-trichloro-1H-benzo[d]imidazole2,5,6-TrichlorobenzimidazoleMFCD098352892,5,6-trichloro-1H-1,3-benzodiazoleNSC-143683
Show more names
2,5,6-trichloro-3aH-benzimidazole
MaribavirIntermediate1H-Benzimidazole,2,5,6-trichloro-8D6TN7A6YSSCHEMBL577623CHEMBL134238SUQYOUJCBGMSLV-UHFFFAOYSA-NBenzimidazole, 2,5,6-trichloro-2,5,6-Trichloro-1H-benzoimidazole

Database identifiers

CAS
16865-11-5
PubChem CID
286009
DTXSID
DTXSID00301488
ChEMBL
CHEMBL134238
UNII
8D6TN7A6YS
EC Number
605-523-3
Nikkaji
J718.533B

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Boiling point
399.3 · 399.3±45.0 °C(Predicted)
Density
1.691 · 1.691±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
6.87 · 6.87±0.10(Predicted)
Appearance
Off-white to yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H227
Precautionary statements
P501-P210-P280-P370+P378-P403+P235

Chemistry & industry

Applications

Uses2,5,6-Trichlorobenzimidazole has been used in the synthesis of trihaloribofuranosylbenzimidazole derivatives with antiviral activity.

Upstream & downstream products

Suppliers66 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
武汉灵灵九生物科技有限公司15623309010
廊坊凯美科思生物科技有限公司15901279280; 15901279280 · [email protected]

Related reactions

51 records
New reaction record

Compound notes

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CAS 16865-11-5 2,5,6-Trichloro-1H-benzimidazole (HCID 286009)｜Huagongshe