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| CAS No.: | 90-59-5 |
|---|---|
| Name: | 3,5-Dibromosalicylaldehyde |
| Article Data: | 67 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4Br2O2 |
| Molecular Weight: | 279.916 |
| Synonyms: | Salicylaldehyde,3,5-dibromo- (6CI,7CI,8CI);1-Formyl-2-hydroxy-3,5-dibromobenzene;2,4-Dibromo-6-formylphenol;2-Hydroxy-3,5-dibromobenzaldehyde;3,5-Dibromo-2-hydroxybenzaldehyde;4,6-Dibromo-2-formylphenol;Dalyde;NSC 6221; |
| EINECS: | 202-003-4 |
| Density: | 2.122 g/cm3 |
| Melting Point: | 82-83.5 °C(lit.) |
| Boiling Point: | 261.2 °C at 760 mmHg |
| Flash Point: | 111.7 °C |
| Solubility: | Soluble in methanol 25 mg/mL. Insoluble in water. |
| Appearance: | yellow to yellow-brown crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-24/25 |
| PSA: | 37.30000 |
| LogP: | 2.72970 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 910247-97-11,2,3-Trimethylimidazolium dimethyl phosphate
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
| Conditions | Yield |
|---|---|
| With bromine | 97% |
| With bromine; calcium bromide In water at 25℃; for 0.333333h; regioselective reaction; | 96% |
| With bromine In water at 20℃; for 0.25h; | 96% |
| Conditions | Yield |
|---|---|
| With sodium perborate; potassium bromide; sodium vanadate In acetic acid at 20℃; for 3h; Bromination; | 96% |
| With pyridinium hydrobromide perbromide In pyridine at 45℃; for 2h; Bromination; | 85% |
- 1262020-28-9
2,4-dibromo-6-(1-hydroxy-3-phenylprop-2-yn-1-yl)phenol
A
- 90-59-5
3,5-Dibromosalicylaldehyde
B
- 886-66-8
1,4-diphenyl-1,3-butadiyne
| Conditions | Yield |
|---|---|
| With copper(II) acetate monohydrate In N,N-dimethyl-formamide at 110℃; for 5h; | A n/a B 82% |
- 35280-46-7
acetic acid-(2,4-dibromo-6-bromomethyl-phenyl ester)
- 90-59-5
3,5-Dibromosalicylaldehyde
| Conditions | Yield |
|---|---|
| With dipotassium hydrogenphosphate; dimethyl selenoxide In 1,2-dichloro-ethane for 2h; Heating; | 77% |
| Conditions | Yield |
|---|---|
| With perchloric acid; C72H100N4O7V2; dihydrogen peroxide; potassium bromide In tetrahydrofuran; methanol; water at 25℃; for 12h; Kinetics; Catalytic behavior; Time; Reagent/catalyst; Solvent; | A 13% B 77% |
| With perchloric acid; C74H104N4O7V2; dihydrogen peroxide; potassium bromide In tetrahydrofuran; methanol; water at 25℃; for 12h; Catalytic behavior; Reagent/catalyst; Time; | A n/a B 74% |
| With dihydrogen peroxide; sodium bromide In acetic acid at 20℃; Green chemistry; | A 40% B 60% |
| Conditions | Yield |
|---|---|
| With perchloric acid; C36H50ClN2O3V; dihydrogen peroxide; potassium bromide In tetrahydrofuran; methanol; water at 25℃; for 12h; Kinetics; Catalytic behavior; Time; Reagent/catalyst; Solvent; | A 8% B n/a C 73% |
- 21524-15-2
6,8-dibromo-2H-chromen-2-one
- 90-59-5
3,5-Dibromosalicylaldehyde
| Conditions | Yield |
|---|---|
| anschliessend Oxidation zu 3.5-Dibrom-salicylsaeure; |
- 252-72-2
6H,12H-6,12-epoxydibenzo[b,f][1,5]dioxocine
- 7726-95-6
bromine
- 64-19-7
acetic acid
A
- 90-59-5
3,5-Dibromosalicylaldehyde
B
- 1761-61-1
5-bromosalicyclaldehyde
| Conditions | Yield |
|---|---|
| Rate constant; Bromierung; |
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Chemistry
Product Name: Benzaldehyde,3,5-dibromo-2-hydroxy- (CAS NO.90-59-5)
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Molecular Formula: C7H4Br2O2
Molecular Weight: 279.91g/mol
Mol File: 90-59-5.mol
EINECS: 202-003-4
Appearance: yellow to yellow-brown crystalline powder
Melting Point: 82-83.5 °C(lit.)
Sensitive: Air Sensitive
Index of Refraction: 1.687
Molar Refractivity: 50.26 cm3
Molar Volume: 131.8 cm3
Surface Tension: 60.8 dyne/cm
Density: 2.122 g/cm3
Flash Point: 111.7 °C
Enthalpy of Vaporization: 51.9 kJ/mol
Boiling Point: 261.2 °C at 760 mmHg
Vapour Pressure: 0.00722 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Benzaldehyde,3,5-dibromo-2-hydroxy- (CAS NO.90-59-5):
IUPAC Name: 3,5-dibromo-2-hydroxybenzaldehyde
Canonical SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
InChI: InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey: JHZOXYGFQMROFJ-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Bromine Compounds; Phenols; Aldehydes; C7; Carbonyl Compounds
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | Chemical and Pharmaceutical Bulletin. Vol. 10, Pg. 528, 1962. |
Safety Profile
Safety Information of Benzaldehyde,3,5-dibromo-2-hydroxy- (CAS NO.90-59-5):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: CU5609000
Specification
Benzaldehyde,3,5-dibromo-2-hydroxy- , its CAS NO. is 90-59-5, the synonyms are 3,5-Dibromo-2-hydroxybenzaldehyde ; 3,5-Dibromosalicylaldeyde ; 2-Hydroxy-3,5-dibromobenzaldehyde .