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CAS No.: | 2733-41-7 |
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Name: | P-NITROBENZAZIDE |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C7H4N4O3 |
Molecular Weight: | 192.134 |
Synonyms: | 4-Nitrobenzoic acid azide;4-Nitrobenzoic azide;4-Nitrobenzoyl azide;p-Nitrobenzoic acid azide;p-Nitrobenzoylazide; |
EINECS: | 220-351-5 |
Density: | 1.5614 (rough estimate) |
Melting Point: | 72°C |
Boiling Point: | 328.09°C (rough estimate) |
Hazard Symbols: | F,Xn |
Risk Codes: | 2-11-20/22-36/37/38 |
Safety: | 7/9-16-26-33 |
PSA: | 112.64000 |
LogP: | 2.02126 |
The Benzoyl azide, 4-nitro-, with the CAS registry number 2733-41-7, is also known as p-Nitrobenzazide. Its EINECS registry number is 220-351-5. This chemical's molecular formula is C7H4N4O3 and molecular weight is 192.13. What's more, its IUPAC name is 4-Nitrobenzoyl azide.
Physical properties about Benzoyl azide, 4-nitro- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.81; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 53.19; (8)ACD/KOC (pH 7.4): 53.19; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.25 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(C(=O)\N=[N+]=[N-])cc1
(2) InChI: InChI=1/C7H4N4O3/c8-10-9-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H
(3) InChIKey: HGDXYCWNFLHQFC-UHFFFAOYAF