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Cas Database |
| Name |
2-Hydroxy-5-nitrobenzyl bromide |
EINECS | 212-248-9 |
| CAS No. | 772-33-8 | Density | 1.795 g/cm3 |
| PSA | 66.05000 | LogP | 2.71850 |
| Solubility | N/A | Melting Point |
144-149 °C |
| Formula | C7H6BrNO3 | Boiling Point | 383 °C at 760 mmHg |
| Molecular Weight | 232.034 | Flash Point | 185.5 °C |
| Transport Information | UN 3261 8/PG 2 | Appearance | Beige to yellow crystalline powder |
| Safety | 26-36/37/39-45 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
o-Cresol, alpha-bromo-4-nitro-;alpha-Bromo-4-nitro-o-cresol;2-(Bromomethyl)-4-nitrophenol;a-Bromo-4-nitro-o-cresol;Koshland's Reagent; |
Article Data | 3 |
2-Hydroxy-5-nitrobenzyl bromide Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid at 70 - 80℃; |
- 772-33-8
Koshlands reagent I
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid at 70 - 80℃; |
- 883715-40-0
2-(2-methyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
- 772-33-8
Koshlands reagent I
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / acetonitrile / 2 h / 90 °C / Inert atmosphere 2: dihydrogen peroxide; water / 20 °C View Scheme |
- 1030832-68-8
2-(2-(bromomethyl)-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
A
- 76-09-5
2,3-dimethyl-2,3-butane diol
B
- 772-33-8
Koshlands reagent I
C
- 11113-50-1
boric acid
| Conditions | Yield |
|---|---|
| With water; dihydrogen peroxide at 20℃; Kinetics; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 48 h / 85 °C / Inert atmosphere 2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / acetonitrile / 2 h / 90 °C / Inert atmosphere 3: dihydrogen peroxide; water / 20 °C View Scheme |
- 772-33-8
Koshlands reagent I
| Conditions | Yield |
|---|---|
| With hexamethylenetetramine In chloroform | 100% |
- 33342-99-3, 160751-58-6, 160751-59-7
(+/-)-2-methyl-1-phenylpyrrolidine
- 772-33-8
Koshlands reagent I
| Conditions | Yield |
|---|---|
| With dipotassium hydrogenphosphate In dichloromethane at 20℃; for 24h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With dipotassium hydrogenphosphate In dichloromethane at 20℃; for 24h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With dipotassium hydrogenphosphate In dichloromethane at 20℃; for 24h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With dipotassium hydrogenphosphate In dichloromethane at 20℃; for 24h; Inert atmosphere; | 99% |
2-Hydroxy-5-nitrobenzyl bromide Specification
The Phenol,2-(bromomethyl)-4-nitro- with CAS registry number of 772-33-8 is also known as 2-Hydroxy-5-nitrobenzyl bromide. The IUPAC name is 2-(Bromomethyl)-4-nitrophenol. Its EINECS registry number is 212-248-9. In addition, the formula is C7H6BrNO3 and the molecular weight is 232.03. This chemical is a beige to yellow crystalline powder that may destroy living tissue on contact. It should be sealed in cool, dry place away from oxidants.
Physical properties about Phenol,2-(bromomethyl)-4-nitro- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 25.75; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 336.74; (8)ACD/KOC (pH 7.4): 22.75; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 47.32 cm3; (14)Molar Volume: 129.1 cm3; (15)Surface Tension: 64.9 dyne/cm; (16)Density: 1.795 g/cm3; (17)Flash Point: 185.5 °C; (18)Enthalpy of Vaporization: 65.62 kJ/mol; (19)Boiling Point: 383 °C at 760 mmHg; (20)Vapour Pressure: 2.05E-06 mmHg at 25 °C.
Uses of Phenol,2-(bromomethyl)-4-nitro-: it is used to produce 2-hydroxy-5-nitrobenzylcyanide by reaction with lithium cyanide. The reaction occurs with solvents tetrahydrofuran, dimethylformamide and other condition of heating for 3 hours. The yield is about 72%.
-4-nitro-.png)
When you are using this chemical, please be cautious about it. As a chemical, it causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CBr)O
2. InChI: InChI=1S/C7H6BrNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2
3. InChIKey: KFDPCYZHENQOBV-UHFFFAOYSA-N
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