CAS No.73866-23-6,5-Bromoacetyl salicylamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73866-23-6
Name:	5-Bromoacetyl salicylamide
Article Data:	4

Formula:	C₉H₈BrNO₃
Molecular Weight:	258.071
Synonyms:	Benzamide,5-(bromoacetyl)-2-hydroxy- (9CI);5-(2-Bromoacetyl)-2-hydroxybenzamide;5-(Bromoacetyl)-2-hydroxybenzamide;2-Bromo-3'-carboxamido-4'-hydroxyacetophenone;Benzamide, 5-(bromoacetyl)-2-hydroxy-;
EINECS:	277-626-8
Density:	1.705 g/cm³
Melting Point:	200-210 °C
Boiling Point:	420.2 °C at 760 mmHg
Flash Point:	207.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	80.39000
LogP:	1.76900

Synthetic route

: 40187-51-7
5-acetylsalicylamide

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

Conditions

Conditions	Yield
With hydrogen bromide; bromine In ethyl acetate at 5 - 10℃; for 18h;	69.4%
With phenyltrimethylammonium tribromide In methanol; dichloromethane at 20℃;	29%
Stage #1: 5-acetylsalicylamide With copper(I) bromide In ethyl acetate under 760.014 Torr; Inert atmosphere; Stage #2: under 760.014 Torr;

: C8H11N3O2S2

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 2-hydroxy-5-{2-[methyl-(4-sulfamoylphenyl)amino]thiazol-4-yl}benzamide

Conditions

Conditions	Yield
In ethanol for 2h; Reflux;	98%

: C13H17N3O2S

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 3-[4-(3-carbamoyl-4-hydroxyphenyl)thiazol-2-ylamino]pyrrolidine-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
In ethanol for 2h; Reflux;	95%

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 5-(Dihydroxyacetyl)-2-hydroxybenzamide

Conditions

Conditions	Yield
In water; dimethyl sulfoxide; isopropyl alcohol	92%

: 286440-10-6
1-(2-bromo-5-methoxybenzoyl)thiosemicarbazide

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: BrCH3OC6H3CON2H2C3HNSC6H3OHCONH2

Conditions

Conditions	Yield
In ethanol for 10h; Heating;	90%

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 62-55-5
thioacetamide

: 1067911-23-2
2-hydroxy-5-(2-methylthiazol-4-yl)benzamide

Conditions

Conditions	Yield
In ethanol for 2h; Reflux; Inert atmosphere;	90%

: 1116152-03-4
C12H13N3OS

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 1116151-78-0
C21H18N4O3S

Conditions

Conditions	Yield
In ethanol for 6h; Reflux;	88%

: 1116152-04-5
C11H11N3OS

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 1116151-82-6
C20H16N4O3S

Conditions

Conditions	Yield
In ethanol for 6h; Reflux;	87%

: 1116152-05-6
C11H10ClN3OS

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 1116151-86-0
C20H15ClN4O3S

Conditions

Conditions	Yield
In ethanol for 6h; Reflux;	87%

: 1019391-35-5
2-(4-chlorophenoxymethyl)benzathiamide

: 73866-23-6
5-(2-bromoacetyl)-2-hydroxybenzamide

: 1397689-13-2
4-(3-carboxamido-4-hydroxyphenyl)-2-[(4-chlorophenoxymethyl)phenyl]-[1,3]-thiazole

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	86%

Raw Materials

40187-51-7

Downstream Products

30566-92-8

Total:132 Page 1 of 4 1 2 3 4 Next>>

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Specification

The CAS registry number of Benzamide,5-(2-bromoacetyl)-2-hydroxy- is 73866-23-6. Its EINECS registry number is 277-626-8. The IUPAC name is 5-(2-bromoacetyl)-2-hydroxybenzamide. In addition, the molecular formula is C₉H₈BrNO₃ and the molecular weight is 258.07. It is also called 5-(bromoacetyl)salicylamide. What's more, it belongs to the classes of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And it should be stored in a cool and dry place.

The characteristics of Benzamide,5-(2-bromoacetyl)-2-hydroxy- are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 19.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 268.61; (8)ACD/KOC (pH 7.4): 13.7; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 54.82 cm³; (15)Molar Volume: 151.2 cm³; (16)Polarizability: 21.73×10^-24cm³; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.705 g/cm³; (19)Flash Point: 207.9 °C; (20)Enthalpy of Vaporization: 70.01 kJ/mol; (21)Boiling Point: 420.2 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-07 mmHg at 25°C.

Uses of Benzamide,5-(2-bromoacetyl)-2-hydroxy-: it can react with dibenzylamine to get 5-[(bis(benzyl)amino)acetyl]salicylamide. This reaction will need solvent butan-2-one. The reaction time is 40 minutes by heating. The yield is about 53%.

When you are using this chemical, please be cautious about it as the following:
It irritates to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cc(ccc1O)C(=O)CBr)N
(2)InChI: InChI=1/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
(3)InChIKey: VXWSXLSUWGZOHD-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	800mg/kg (800mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 59, 1990.