Benzoyl azide, 4-nitro- supplier

Name
P-NITROBENZAZIDE
EINECS 220-351-5
CAS No. 2733-41-7
Article Data60
CAS DataBase
Density 1.5614 (rough estimate)
Solubility
Melting Point 72°C
Formula C₇H₄N₄O₃
Boiling Point 328.09°C (rough estimate)
Molecular Weight 192.134
Flash Point
Transport Information
Appearance
Safety 7/9-16-26-33
Risk Codes 2-11-20/22-36/37/38
Molecular Structure
Hazard Symbols F,Xn
Synonyms 4-Nitrobenzoic acid azide;4-Nitrobenzoic azide;4-Nitrobenzoyl azide;p-Nitrobenzoic acid azide;p-Nitrobenzoylazide;
PSA 112.64000
LogP 2.02126

Benzoyl azide, 4-nitro- Specification

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

Product Name

P-NITROBENZAZIDE

Benzoyl azide, 4-nitro- Specification

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