N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
Basic information
- CAS
332352-03-1- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1- InChIKey
HJAWALXDDAGMDY-UHFFFAOYSA-N- Molecular formula
- C14H10ClN5O
- Average molar mass
- 299.71 g/mol
- Monoisotopic mass
- 299.0573877
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
- IUPAC
- N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
- English name
- N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
- Molecular formula
- C14H10ClN5O
- Molecular weight
- 299.72
Names & synonyms
N-(3-chlorophenyl)-4-(1H-tetrazol-1-yl)benzamideCBMicro_038497Cambridge id 5947518N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamideOprea1_529676Oprea1_674511STL120409AKOS002255715BIM-0038431.P001ST50325486N-(3-chlorophenyl)-4-(1H-tetraazol-1-yl)benzamideN-(3-chlorophenyl)(4-(1,2,3,4-tetraazolyl)phenyl)carboxamide
Show more names
Benzamide, N-(3-chlorophenyl)-4-(1H-tetrazol-1-yl)-
332352-03-1
Database identifiers
- CAS
332352-03-1- PubChem CID
- 779648
- EC Number
- 134-283-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 12.03 · 12.03±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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