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Structure

2-(Trifluoromethyl)benzimidazole

CAS
312-73-2
Catalog Number
ACM312732
Category
Other Products
Molecular Weight
186.13
Molecular Formula
C8H5F3N2

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Specification

Synonyms
Maybridge1_003444, 2-Trifluoromethyl benzimidazole, 2-Trifluoromethylbenzimidazole, MLS001049365, Benzimidazole, 2-trifluoromethyl-, 105694_ALDRICH, 2-(Trifluoromethyl)-1H-benzimidazole, 2-(Trifluoromethyl)benzimidazole, 2-Trifluoromethyl-1H-benzoimidazole, NSC 512765, NSC97013, BRN 0163420, NSC512765, ZINC00073738, 1H-Benzimidazole, 2-(trifluoromethyl)-, EC-000.2043, LS-33218, SMR000427353, 1H-Benzimidazole, 2-(trifluoromethyl)- (9CI), 5-23-06-00344 (Beilstein Handbook Reference)
IUPAC Name
2-(trifluoromethyl)-1H-benzimidazole
Canonical SMILES
C1=CC=C2C(=C1)NC(=N2)C(F)(F)F
InChI Key
MXFMPTXDHSDMTI-UHFFFAOYSA-N
Boiling Point
262.8ºC at 760 mmHg
Melting Point
208-211ºC(lit.)
Flash Point
112.7ºC
Density
1.447 g/cm³
Appearance
Solid.
Exact Mass
186.04000
Hazard Statements
T: Toxic;
H-Bond Acceptor
5
H-Bond Donor
1
Packing Group
II
Safety Description
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek
Stability
Stable under normal temperatures and pressures.
WGK Germany
3

Upstream Synthesis Route 1

  • 51-17-2
  • 2314-97-8
  • 326-55-6
  • 392-11-0
  • 312-73-2
  • 81769-74-6

Reference: [1] Journal of Organic Chemistry, 1982, vol. 47, # 15, p. 2867 - 2872
[2] Journal of Organic Chemistry, 1982, vol. 47, # 15, p. 2867 - 2872

Downstream Synthesis Route 1

  • 312-73-2
  • 327-19-5

Reference: [1]Journal of the Chemical Society,1955,p. 534,537

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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