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| CAS No.: | 89-98-5 |
|---|---|
| Name: | 2-Chlorobenzaldehyde |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5ClO |
| Molecular Weight: | 140.569 |
| Synonyms: | O-chlorobenzaldehyde (OCBA);2-Chloro benzaldehyde;Benzaldehyde,o-chloro- (8CI); |
| EINECS: | 201-956-3 |
| Density: | 1.243 g/cm3 |
| Melting Point: | 9-11 °C(lit.) |
| Boiling Point: | 211.9 °C at 760 mmHg |
| Flash Point: | 85 °C |
| Solubility: | 0.1-0.5 g/100 mL at 24 °C in water |
| Appearance: | colourless to brown liquid |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34 |
| Safety: | 26-45 |
| Transport Information: | UN 3265 8/PG 3 |
| PSA: | 17.07000 |
| LogP: | 2.15250 |
2-Chlorobenzyl alcohol
2-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With n-butyltriphenylphosphonium permanganate In acetonitrile at 20℃; for 0.25h; | 100% |
| With ferric nitrate; barium(II) chloride at 90℃; for 0.166667h; | 100% |
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In dichloromethane; water under 760.051 Torr; for 4h; Green chemistry; | 100% |
2-chlorobenzyl trimethylsilyl ether
2-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With nitrogen dioxide at 20℃; for 1h; | 100% |
| With 2,6-dicarboxypyridinium fluorochromate In acetonitrile at 20℃; for 0.1h; | 98% |
| With N-benzyl-N,N-dimethyl anilinium peroxodisulfate In acetonitrile for 0.116667h; Reflux; | 98% |
1,1-diacetoxy-1-(2-chlorophenyl)methane
2-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With water; silica sulfate In benzene for 0.0333333h; Heating; | 99% |
| With potassium tert-butylate; 3-Dimethylaminophenol In tetrahydrofuran for 0.0833333h; | 98% |
| With sodium hydrogen sulfate; PEG-2000 at 70℃; for 0.5h; | 96% |
| Conditions | Yield |
|---|---|
| With samarium diiodide; phosphoric acid In tetrahydrofuran for 0.000833333h; Ambient temperature; | 99% |
| With lithium-tris(diethylamino)hydridoaluminate In tetrahydrofuran for 12h; Ambient temperature; | 68% |
| Conditions | Yield |
|---|---|
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccasefrom Trametes versicolor; oxygen In water at 30℃; for 24h; pH=4.5; Enzymatic reaction; | 99% |
| With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0h; | 93% |
| With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction; | 90% |
| Conditions | Yield |
|---|---|
| With Cr-MCM-41 zeolite on silica gel for 0.0833333h; microwave irradiation; | 98% |
| With molybdenum(V) chloride; zinc In acetonitrile at 20℃; for 0.166667h; | 95% |
| With tris[trinitratocerium(IV)] paraperiodate at 90℃; for 0.166667h; | 95% |
2-(2-chlorophenyl)-1,3-dithiolane
2-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane for 0.25h; Ambient temperature; | 98% |
| With dimethyl sulfoxide at 20℃; for 2h; Solvent; | 89% |
2-(2-chlorophenyl)-1,3-dithiane
2-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane for 1h; Ambient temperature; | 98% |
| With silica gel; iodic acid at 20℃; for 0.0208333h; | 93% |
| With quinolinium monofluorochromate(VI) In acetonitrile for 4h; Heating; | 92% |
| With 2,6-dicarboxypyridinium chlorochromate In acetonitrile for 2.13333h; Heating; | 88% |
| With water In 1,4-dioxane at 100℃; for 48h; Inert atmosphere; | 78% |
2-Chlorobenzyl alcohol
nitrobenzene
A
2-chlorobenzalaniline
B
2-chloro-benzaldehyde
| Conditions | Yield |
|---|---|
| With α,α,α-trifluorotoluene; titanium(IV) oxide In dodecane under 750.075 Torr; for 3h; Darkness; Inert atmosphere; Irradiation; | A 96.98% B n/a |
2-methylchlorobenzene
A
2-chloro-benzaldehyde
B
1-bromomethyl-2-chlorobenzene
C
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; for 0.666667h; Kinetics; Mechanism; Rate constant; other time; other temperature; various concentrations of Co(OAc)2 and NaBr; | A n/a B n/a C 96% |
| With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; for 0.666667h; | A n/a B n/a C 95% |
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The Molecular Structure of 2-Chlorobenzaldehyde (CAS NO.89-98-5):
Empirical Formula: C7H5ClO
Molecular Weight: 140.567
IUPAC Name: 2-chlorobenzaldehyde
Appearance: colourless to brown liquid
Nominal Mass: 140 Da
Average Mass: 140.567 Da
Monoisotopic Mass: 140.002892 Da
Index of Refraction: 1.585
Molar Refractivity: 37.9 cm3
Molar Volume: 113 cm3
Surface Tension: 42.2 dyne/cm
Density: 1.243 g/cm3
Flash Point: 87.8 °C
Melting Point: 10-11.5 °C
Water Solubility: 0.1-0.5 g/100 mL at 24 ºC
Enthalpy of Vaporization: 44.82 kJ/mol
Boiling Point: 211.9 °C at 760 mmHg
Vapour Pressure: 0.178 mmHg at 25°C
Synonyms: 2-chloorbenzaldehyde ; 2-Chlorbenzaldehyd ; 2-chloro-benzaldehyd ; 2-Clorobenzaldeide ; Benzaldehyde, o-chloro- ; Benzaldehyde,2-chloro- ; o-Chloorbenzaldehyde
Product Categories: Aromatic Aldehydes & Derivatives (substituted);C7Alphabetic;Aldehydes;C;Carbonyl Compounds;CH;C7
2-Chlorobenzaldehyde (CAS NO.89-98-5) is used as the intermediates of dye, pesticide, medicine in organic synthesis. 2-Chlorobenzaldehyde is available for the preparation of ethychlozate that is a plant growth regulator. It is also used to synthesize acaricides, such as clofentezine and flutenzine.
| 1. | ipr-mus LD50:10 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . | ||
| 2. | ivn-rbt LD50:8500 µg/kg | PJPPAA Polish Journal of Pharmacology and Pharmacy. 31 (1979),563. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Cl−. See also ALDEHYDES and CHLORIDES .
Hazard Codes: 
Xi
C
Risk Statements: 34
R34: Causes burns
Safety Statements: 26-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 3
WGK Germany: 1
RTECS: CU5075000
F: 8-9-23
Hazard Note: Irritant
HazardClass: 8
PackingGroup: III
HS Code: 29130000
