- 3-Bromo-5-chloro benzaldehyde
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Cas Database |
| Name |
3-Bromo-5-chloro benzaldehyde |
EINECS | N/A |
| CAS No. | 188813-05-0 | Density | 1.698 g/cm3 |
| PSA | 17.07000 | LogP | 2.91500 |
| Solubility | N/A | Melting Point |
68-73 °C |
| Formula | C7H4BrClO | Boiling Point | 264.044 °C at 760 mmHg |
| Molecular Weight | 219.465 | Flash Point | 113.49 °C |
| Transport Information | UN 3077 9/PG 3 | Appearance | white crystal powder |
| Safety | 26-36/37/39-61-53 | Risk Codes | 36/37/38-51/53-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, N
|
| Synonyms |
3-BROMO-5-CHLORO-BENZALDEHYDE;3-Bromo-5-chlorobenzladehyde;5-Chloro-3-bromobenzaldehyde;3-BroMo-5-chlorobenzaldehyde, 98%+ |
Article Data | 2 |
3-Bromo-5-chloro benzaldehyde Synthetic route
- 14862-52-3
1,3-dibromo-5-chlorobenzene
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 188813-05-0
3-bromo-5-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-dibromo-5-chlorobenzene With n-butyllithium In hexane; di-isopropyl ether at -78℃; for 0.5h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In hexane; di-isopropyl ether at -78℃; Inert atmosphere; | 67% |
- 188813-05-0
3-bromo-5-chloro-benzaldehyde
- 107-21-1
ethylene glycol
- 230642-94-1
2-(3-chloro-5-formylphenyl)-2-methylpropanenitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene Inert atmosphere; Reflux; | 100% |
| With toluene-4-sulfonic acid In toluene for 18h; Heating / reflux; Water removal; | 85% |
| With toluene-4-sulfonic acid In toluene for 6h; Reflux; Dean-Stark; | 6.05 g |
| With toluene-4-sulfonic acid In toluene at 140℃; for 2h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| In toluene at 111℃; for 18h; Inert atmosphere; | 93% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 12h; Inert atmosphere; Reflux; | 90% |
- 188813-05-0
3-bromo-5-chloro-benzaldehyde
- 1670-14-0
benzamidine monohydrochloride
- 1073062-42-6
2-(3-bromo-5-chlorophenyl )-4,6-diphenyl-1,3,5-triazine
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromo-5-chloro-benzaldehyde; benzamidine monohydrochloride With potassium phosphate In dimethyl sulfoxide at 90℃; for 1h; Stage #2: With magnesium sulfate; 2,3-dicyano-5,6-dichloro-p-benzoquinone In tetrahydrofuran; dimethyl sulfoxide at 20℃; for 0.166667h; | 87% |
| Conditions | Yield |
|---|---|
| With sodium methylate In ethanol for 5h; | 80% |
- 188813-05-0
3-bromo-5-chloro-benzaldehyde
- 149-73-5
trimethyl orthoformate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In methanol for 12h; Reflux; | 78% |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol; ethanol for 5h; | 77% |
- 188813-05-0
3-bromo-5-chloro-benzaldehyde
- 57260-71-6
1-t-Butoxycarbonylpiperazine
- 1460033-73-1
4-(3-bromo-5-chloro-benzyl)piperazine-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With sodium tris(acetoxy)borohydride; triethylamine In dichloromethane at 20℃; for 16h; | 76% |
- 141-84-4
2-thioxo-4-thiazolidinone
- 188813-05-0
3-bromo-5-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol Reflux; | 75% |
3-Bromo-5-chloro benzaldehyde Specification
The 3-Bromo-5-chloro benzaldehyde, with the CAS registry number 188813-05-0, is also known as 3-Bromo-5-chloro-benzaldehyde. It belongs to the product categories of C7 Chemical Synthesis; Aldehydes; Carbonyl Compounds; New Products for Chemical Synthesis; Organic Building Blocks. This chemical's molecular formula is C7H4BrClO and molecular weight is 219.46. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-5-chlorobenzaldehyde. It is white crystal powder.
Physical properties about 3-Bromo-5-chloro benzaldehyde are: (1) ACD/LogP: 3.69; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 129; (6) ACD/BCF (pH 7.4): 129; (7) ACD/KOC (pH 5.5): 1126; (8) ACD/KOC (pH 7.4): 1126; (9)#H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 17.07 Å2; (13) Index of Refraction: 1.623; (14) Molar Refractivity: 45.591 cm3; (15) Molar Volume: 129.235 cm3; (16) Surface Tension: 47.176 dyne/cm; (17) Density: 1.698 g/cm3; (18) Flash Point: 113.49 °C; (19) Enthalpy of Vaporization: 50.19 kJ/mol; (20) Boiling Point: 264.044 °C at 760 mmHg; (21) Vapour Pressure: 0.01 mmHg at 25 °C; (22) Melting Point: 68-73 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may present an immediate or delayed danger to one or more components of the environment. In addition, it is harmful if swallowed and may cause damage to health. This chemical is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You should avoid exposuring and avoid releasing to the environment. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C=O)cc(Br)c1
(2) InChI: InChI=1/C7H4BrClO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
(3) InChIKey: JGMGDYUVFBBCEQ-UHFFFAOYAH
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