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Structure

2-Nitro-4-(trifluoromethyl)benzoyl chloride

CAS
81108-81-8
Catalog Number
ACM81108818
Category
Other Products
Molecular Weight
253.563
Molecular Formula
C8H3ClF3NO3

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Specification

Synonyms
2-nitro-4-(trifluoromethyl)benzoyl chloride, 2-Nitro-4-trifluoromethyl-benzoyl chloride, Benzoyl chloride, 2-nitro-4-(trifluoromethyl)-, 81108-81-8, AGN-PC-0011RV, CTK3E4805, MolPort-002-499-202, ZINC15442392, AG-A-44952, KB-87299, 2-nitro-4-(trifluoromethyl)-benzoylchloride, X2874, 2-Nitro-4-(trifluoromethyl)benzoyl chloride;, A810367
IUPAC Name
2-nitro-4-(trifluoromethyl)benzoyl chloride
Canonical SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)Cl
InChI Key
QCYUKTBJHGSJBC-UHFFFAOYSA-N
Boiling Point
285.4ºC at 760 mmHg
Flash Point
126.4ºC
Density
1.573 g/cm³
Exact Mass
252.97500
H-Bond Acceptor
6
H-Bond Donor
0
Safety Description
26-36/37/39

Upstream Synthesis Route 1

  • 320-94-5
  • 81108-81-8

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 507 - 511

Downstream Synthesis Route 1

  • 81108-81-8
  • 109466-87-7

Reference: [1] Patent: EP487357, 1992, A1,

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

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