CAS
1628435 Purity
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1628435 Purity
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Benzoic acid,4-(1H-1,2,4-triazol-1-yl)-
CAS
162848-16-0
Catalog Number
ACM162848160
Category
Other Products
Molecular Weight
189.17
Molecular Formula
C9H7 N3 O2
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Specification
Synonyms
BUTTPARK 95\50-80;ART-CHEM-BB B022049;AKOS B022049;4-[1,2,4]TRIAZOL-1-YL-BENZOIC ACID;4-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID;RARECHEM AL BE 1325;OTAVA-BB BB7018780039;4-[1,2,4]TRIAZOL-1-YL-BENZOIC ACID 95%
IUPAC Name
4-(1,2,4-triazol-1-yl)benzoate
Canonical SMILES
C1=CC(=CC=C1C(=O)O)N2C=NC=N2
InChI Key
FOMQQGKCPYKKHQ-UHFFFAOYSA-M
Boiling Point
424.1ºC at 760mmHg
Melting Point
318ºC
Flash Point
210.3ºC
Density
1.39g/cm³
Appearance
white crystal powder
Exact Mass
189.05400
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
S26-S37/39
Upstream Synthesis Route 1
- 143426-48-6
- 162848-16-0
Reference: [1]Patent: US6359134,2002,B1 .Location in patent: Referential example 17
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