5-Acetamido-2-bromobenzoic acid supplier

Name
5-Acetamido-2-bromobenzoic acid
EINECS
CAS No. 22921-67-1
Article Data6
CAS DataBase
Density 1.706 g/cm³
Solubility
Melting Point 186-188 °C
Formula C₉H₈BrNO₃
Boiling Point 466 °C at 760 mmHg
Molecular Weight 258.071
Flash Point 235.6 °C
Transport Information
Appearance Lilac-greyish powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Benzoicacid, 5-acetamido-2-bromo- (8CI);5-(Acetylamino)-2-bromobenzoic acid;2-Bromo-5-Acetamidobenzoic acid;
PSA 66.40000
LogP 2.17870

5-Acetamido-2-bromobenzoic acid Specification

The Benzoic acid,5-(acetylamino)-2-bromo-, with the CAS registry number 22921-67-1, is also known as 2-Bromo-5-Acetamidobenzoic acid. This chemical's molecular formula is C₉H₈BrNO₃ and molecular weight is 258.07. What's more, its systematic name is 5-(Acetylamino)-2-bromobenzoic acid. The product should be sealed and stored in containers which are placed in cool and dry places. It should be protected from oxidizers. In addition, it is irritating to eyes, respiratory system and skin. When using it, you need avoid contact with skin and eyes.

Physical properties of Benzoic acid,5-(acetylamino)-2-bromo- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 55.14 cm³; (15)Molar Volume: 151.2 cm³; (16)Polarizability: 21.86×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.706 g/cm³; (19)Flash Point: 235.6 °C; (20)Enthalpy of Vaporization: 76.67 kJ/mol; (21)Boiling Point: 466 °C at 760 mmHg; (22)Vapour Pressure: 1.75E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)Br)C(=O)O
(2)InChI: InChI=1S/C9H8BrNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
(3)InChIKey: JUWQEPVNDAKOQG-UHFFFAOYSA-N

Product Name

5-Acetamido-2-bromobenzoic acid

5-Acetamido-2-bromobenzoic acid Specification

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