CAS No.22921-67-1,5-Acetamido-2-bromobenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22921-67-1
Name:	5-Acetamido-2-bromobenzoic acid
Article Data:	6

Formula:	C₉H₈BrNO₃
Molecular Weight:	258.071
Synonyms:	Benzoicacid, 5-acetamido-2-bromo- (8CI);5-(Acetylamino)-2-bromobenzoic acid;2-Bromo-5-Acetamidobenzoic acid;
Density:	1.706 g/cm³
Melting Point:	186-188 °C
Boiling Point:	466 °C at 760 mmHg
Flash Point:	235.6 °C
Appearance:	Lilac-greyish powder
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	24/25
PSA:	66.40000
LogP:	2.17870

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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