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Home >> Chemical Listing >> Page 2362 >> 4-(4H-1,2,4-Triazol-4-yl)benzoyl chloride

4-(4H-1,2,4-Triazol-4-yl)benzoyl chloride
[CAS# 717871-76-6]

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Identification
Name 4-(4H-1,2,4-Triazol-4-yl)benzoyl chloride
Synonyms 4-(4H-1,2,4-triazol-4-yl)benzoyl chloride; BENZOYL CHLORIDE, 4-(4H-1,2,4-TRIAZOL-4-YL)- (9CI)
Molecular Structure CAS#: 717871-76-6, 4-(4H-1,2,4-Triazol-4-yl)benzoyl chloride
Molecular Formula C9H6ClN3O
Molecular Weight 207.62
CAS Registry Number 717871-76-6
SMILES c1cc(ccc1C(=O)Cl)n2cnnc2
InChI 1S/C9H6ClN3O/c10-9(14)7-1-3-8(4-2-7)13-5-11-12-6-13/h1-6H
InChIKey QNXFKEVHKRIXOI-UHFFFAOYSA-N
Properties
Density 1.41g/cm3 (Cal.)
Boiling point 373.302°C at 760 mmHg (Cal.)
Flash point 179.567°C (Cal.)
Refractive index 1.661 (Cal.)
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