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Cas Database |
| Name |
3,4-Dichlorobenzaldehyde |
EINECS | 228-520-5 |
| CAS No. | 6287-38-3 | Density | 1.4 g/cm3 |
| PSA | 17.07000 | LogP | 2.80590 |
| Solubility | insoluble in water | Melting Point |
39-42 °C(lit.) |
| Formula | C7H4Cl2O | Boiling Point | 248.8 °C at 760 mmHg |
| Molecular Weight | 175.014 | Flash Point | 102 °C |
| Transport Information | UN 1759 8/PG 2 | Appearance | White crystalline solid or chunky powder |
| Safety | 26-27-28-36/37/39-45 | Risk Codes | 34-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 C,  Xi
|
| Synonyms |
3,4-Dichlorobenzenecarboxaldehyde;NSC 8763;m,p-Dichlorobenzaldehyde; |
Article Data | 55 |
3,4-Dichlorobenzaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide at 80℃; for 7h; Green chemistry; | 98% |
| With dmap; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate In neat (no solvent) at 100℃; for 18h; Green chemistry; | 97% |
| With 2C36H60N9(3+)*3O4W(2-); dihydrogen peroxide In water at 20℃; for 0.166667h; Green chemistry; | 96% |
- 1162648-58-9
3,4-Cl2-Ph-CH2OTMS
- 6287-38-3
3,4-dichlorobenzaldehyde
| Conditions | Yield |
|---|---|
| With copper(II) nitrate trihydrate; water; silica gel; potassium bromide at 90℃; for 0.7h; Neat (no solvent); | 90% |
- 6287-38-3
3,4-dichlorobenzaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In diethyl ether; toluene at 20℃; for 2h; Inert atmosphere; | 88% |
| Conditions | Yield |
|---|---|
| With benzo[c]cinnoline; sodium iodide In N,N-dimethyl-formamide at 80℃; Kornblum Aldehyd Synthesis; | 85% |
| Conditions | Yield |
|---|---|
| With triethylamine; palladium dichloride In water; N,N-dimethyl-formamide at 110℃; under 760.051 Torr; for 4h; Inert atmosphere; | 83% |
- 36480-40-7
3,4-dichlorobenzyl mercaptan
- 6287-38-3
3,4-dichlorobenzaldehyde
| Conditions | Yield |
|---|---|
| With dipotassium peroxodisulfate; tetrakis(pyridine)silver(II) peroxodisulfate; oxygen In N,N-dimethyl-formamide at 23℃; under 760.051 Torr; Irradiation; | 65% |
- 163226-27-5
tert-butyl 3,4-dichlorobenzylidenecarbamate
A
- 6287-38-3
3,4-dichlorobenzaldehyde
C
- 163226-31-1
N-tert-butoxycarbonyl-3-(3,4-dichlorophenyl)oxaziridine
| Conditions | Yield |
|---|---|
| With n-butyllithium; 3-chloro-benzenecarboperoxoic acid In hexane; dichloromethane -78 degC, 2 h, room t., 30 min; | A 21 % Spectr. B 8 % Spectr. C 63% |
| With n-butyllithium; 3-chloro-benzenecarboperoxoic acid In hexane; dichloromethane -78 degC, 2 h, room t., 30 min; Title compound not separated from byproducts; | A 21 % Spectr. B 8 % Spectr. C 71 % Spectr. |
- 13014-24-9
3,4-dichloro-1-trichloromethylbenzene
- 6287-38-3
3,4-dichlorobenzaldehyde
| Conditions | Yield |
|---|---|
| With 10% Pt/activated carbon; hydrogen; tri-n-butyl-tin hydride In N,N-dimethyl acetamide at 25℃; under 760.051 Torr; for 2h; chemoselective reaction; | 51% |
B
- 6287-38-3
3,4-dichlorobenzaldehyde
| Conditions | Yield |
|---|---|
| With oxygen; mercury In thiophene; benzene for 0.416667h; UV-irradiation; | A 40% B n/a |
| Conditions | Yield |
|---|---|
| With sodium molybdate; dihydrogen peroxide; cobalt(II) acetate; acetic acid; sodium bromide at 90℃; for 0.25h; Temperature; | 29% |
3,4-Dichlorobenzaldehyde Chemical Properties
3,4-Dichlorobenzaldehyde (6287-38-3) is also named as OTAVA-BB BB7018801961 ; 3,4-DCAD;AKOS BBS-00000836 ; Labotest-BB LT00932384 ; 3,4-dichlorobenzenecarboxaldehyde ; 3,4-Dichlorobenzaldehyde,95% ; Benzaldehyde, 3,4-dichloro- ; CCRIS 6015 ; D56608_ALDRICH ; MLS002415698 ; NSC8763 ,and so on. 3,4-Dichlorobenzaldehyde (6287-38-3) is white to slightly yellow low melting solid.
IUPAC Name: 3,4-Dichlorobenzaldehyde
CAS: 6287-38-3
Molecular Formula: C7H4Cl2O
Molecular Weight: 175.01
Molecular structure: 
EINECS: 228-520-5
Melting point: 39-42 °C(lit.)
Storage temp.: 0-6°C
Water Solubility: insoluble
Sensitive: Air Sensitive
BRN: 636379
ACD/LogD (pH 5.5): 0.41
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 6.25
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 9
Index of Refraction: 1.631
Molar Refractivity: 117.36 cm3
Molar Volume: 329 cm3
Polarizability: 46.52 10-24cm3
Surface Tension: 47.6 dyne/cm
Density: 1.172 g/cm3
Flash Point: 287.7 °C
Enthalpy of Vaporization: 83.26 kJ/mol
Boiling Point: 552.1 °C at 760 mmHg
Vapour Pressure: 3.11E-12 mmHg at 25°C
3,4-Dichlorobenzaldehyde Uses
1. 3,4-Dichlorobenzaldehyde (6287-38-3) is commonly used as dye intermediate.
2. 3,4-Dichlorobenzaldehyde (6287-38-3) is organic intermediate to produce medicine.
3,4-Dichlorobenzaldehyde Safety Profile
Hazard Codes: C,Xi .gif){kind=small}
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Risk Statements: 34-36/37/38 (34: Causes burns 36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 26-27-28-36/37/39-45 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 36/37/39: Wear suitable protective clothing, gloves and eye/face protection 45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR: UN 1759 8/PG 2
WGK Germany: 3
F: 9-23
Hazard Note: Irritant/Air Sensitive
HazardClass: 8
PackingGroup: III
3,4-Dichlorobenzaldehyde Specification
Removal in wastewater treatment of 3,4-Dichlorobenzaldehyde (6287-38-3) can be stated as follows:
Total removal:85.90 percent
Total biodegradation:0.73 percent
Total sludge adsorption:85.17 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)
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