2-chloro-6-(trifluoromethyl)-1H-benzimidazole

HCID 337905
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Basic information

CAS
86604-86-6
Standard SMILES
FC(F)(F)c1ccc2nc(Cl)[nH]c2c1
InChIKey
CZQXWSPZVZKNRM-UHFFFAOYSA-N
Molecular formula
C8H4ClF3N2
Average molar mass
220.58 g/mol
Monoisotopic mass
220.00151047

Names & identifiers

Preferred name
2-chloro-6-(trifluoromethyl)-1H-benzimidazole
IUPAC
2-chloro-6-(trifluoromethyl)-1H-benzimidazole
English name
2-Chloro-6-(trifluoromethyl)-1H-benzimidazole
Molecular formula
C8H4ClF3N2
Molecular weight
220.58

Names & synonyms

86604-86-62-chloro-6-(trifluoromethyl)-1H-benzimidazole2-Chloro-5-(trifluoromethyl)benzimidazole2-chloro-6-(trifluoromethyl)benzimidazole2-chloro-5-(trifluoromethyl)-1H-benzo[d]imidazole2-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazoleMFCD08236702SCHEMBL6667671H-BENZIMIDAZOLE, 2-CHLORO-5-(TRIFLUOROMETHYL)-CS-D03412-chloro-6-(trifluoromethyl)-1H-1,3-benzodiazoleMFCD12963759
Show more names
-Chloro-6-(trifluoromethyl)benzimidazole2-CHLORO-6-TRIFLUOROMETHYL-1H-BENZIMIDAZOLE1H-BenziMidazole, 2-chloro-6-(trifluoroMethyl)-2-chloro-5-(trifluoroMethyl)-1H-1,3-benzodiazole
2-chloro-5-trifluoromethyl-1H-benzoimidazole2-Chloro-6-trifluoromethyl-1H-benzoimidazole2-CHLORO-5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLENSC3579292-chloro-5-(trifluo2-chloro-5-trifluoromethyl-1H-benzimidazoleBB 0256775SCHEMBL1311258

Database identifiers

CAS
86604-86-6
PubChem CID
337905
DTXSID
DTXSID10320327
Nikkaji
J2.647.704B

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
186 · 186-188 °C
Boiling point
322.1 · 322.1±52.0 °C(Predicted)
Density
1.569 · 1.569±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
8.75 · 8.75±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Chloro-6-(trifluoromethyl)-1H-benzimidazole is a useful reagent in preparing chiral 2-aminobenzimidazoles as recoverable organocatalyst.

Upstream & downstream products

Suppliers63 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

Related reactions

47 records
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Compound notes

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