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| CAS No.: | 5933-32-4 |
|---|---|
| Name: | 4-BROMOBENZHYDRAZIDE |
| Article Data: | 126 |
| Molecular Structure: | |
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| Formula: | C7H7BrN2O |
| Molecular Weight: | 215.049 |
| Synonyms: | Benzoicacid, p-bromo-, hydrazide (6CI,7CI,8CI);(4-Bromobenzoyl)hydrazine;(p-Bromobenzoyl)hydrazine;4-Bromobenzenecarboxylic acid hydrazide;4-Bromobenzhydrazide;4-Bromobenzohydrazide;4-Bromobenzoic acid hydrazide;4-Bromobenzoic hydrazide;4-Bromobenzoyl hydrazide;INHd 16;NSC 60114;p-Bromobenzhydrazide;p-Bromobenzohydrazide;p-Bromobenzoic acid hydrazide;p-Bromobenzoic hydrazide; |
| EINECS: | 227-681-9 |
| Density: | 1.615 g/cm3 |
| Melting Point: | 167-169°C |
| Boiling Point: | 353.2 °C at 760 mmHg |
| Flash Point: | 167.4 °C |
| Solubility: | Soluble in hot methanol (almost transparency). Slightly soluble in water. |
| Appearance: | Light beige powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.12000 |
| LogP: | 2.14380 |
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Specification
This chemical is called Benzoic acid, 4-bromo-, hydrazide, and it can also be named as Benzoic acid, p-bromo-, hydrazide. With the the CAS registry number of 5933-32-4, its product categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Bromine Compounds; Carbonyl Compounds; Organic Building Blocks. This chemical is light beige powder. It should be stored sealed in the cool and dry place.
Other characteristics of the Benzoic acid, 4-bromo-, hydrazide can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 5.51; (6)ACD/BCF (pH 7.4): 5.53; (7)ACD/KOC (pH 5.5): 118.02; (8)ACD/KOC (pH 7.4): 118.38; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 46.46 cm3; (15)Molar Volume: 133.1 cm3; (16)Polarizability: 18.42×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.615 g/cm3; (19)Flash Point: 167.4 °C; (20)Enthalpy of Vaporization: 63.12 kJ/mol; (21)Boiling Point: 353.2 °C at 760 mmHg; (22)Vapour Pressure: 1.34E-05 mmHg at 25°C.
Uses of this chemical: The Benzoic acid, 4-bromo-, hydrazide could react with chloromethyl-benzene, and obtain the p-bromobenzoic acid b-benzylhydrazide. This reaction needs the reagent of pyridine, and the solvent of benzene. The yield is 46 %. In addition, this reaction should be taken for 10 hours. The other condition is heating.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(Br)cc1)NN
2.InChI: InChI=1/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
3.InChIKey: UYIMBYKIIMYFPS-UHFFFAOYAQ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 316mg/kg (316mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00897, |