CAS No.39115-96-3,3-BROMOBENZHYDRAZIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	39115-96-3
Name:	3-BROMOBENZHYDRAZIDE
Article Data:	62

Formula:	C₇H₇BrN₂O
Molecular Weight:	215.049
Synonyms:	Benzoicacid, m-bromo-, hydrazide (6CI);(m-Bromobenzoyl)hydrazine;3-Bromobenzoic acid hydrazide;m-Bromobenzohydrazide;m-Bromobenzoic acid hydrazide;
EINECS:	254-298-4
Density:	1.615 g/cm³
Melting Point:	155-156 °C
Boiling Point:	368.5 °C at 760 mmHg
Flash Point:	176.7 °C
Solubility:	Slightly soluble in water (3.7 g/L) (25°C)
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.12000
LogP:	2.14380

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Specification

The Benzoic acid, 3-bromo-,hydrazide, with CAS registry number 39115-96-3, belongs to the following product categories: (1)Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; (2)Bromine Compounds; (3)Carbonyl Compounds; (4)Hydrazides; (5)Organic Building Blocks. It has the systematic name of 3-bromobenzohydrazide. And the chemical formula of this chemical is C₇H₇BrN₂O. What's more, its EINECS is 254-298-4.

Physical properties of Benzoic acid, 3-bromo-,hydrazide: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.33; (6)ACD/BCF (pH 7.4): 5.34; (7)ACD/KOC (pH 5.5): 115.19; (8)ACD/KOC (pH 7.4): 115.46; (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: 176.7 °C; (20)Enthalpy of Vaporization: 64.9 kJ/mol; (21)Boiling Point: 368.5 °C at 760 mmHg; (22)Vapour Pressure: 4.42E-06 mmHg at 25°C.

Uses of Benzoic acid, 3-bromo-,hydrazide: it can be used to produce 5-(3-bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction will need reagent potassium hydroxide and solvent ethanol. The reaction time is 3 hour(s). The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid, 3-bromo-,hydrazide irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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(c1cc(Br)ccc1)NN
(2)InChI: InChI=1/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
(3)InChIKey: BNAQRAZIPAHWAR-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
(5)Std. InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N