| Identification | More | [Name]
3-Chloro-4-hydroxybenzaldehyde | [CAS]
2420-16-8 | [Synonyms]
2-CHLORO-4-HYDROXYBENZALDEHYDE
3-CHLORO-4-HYDROXYBENZALDEHYDE
AKOS B028967
TIMTEC-BB SBB004014
TIMTEC-BB SBB005887
Benzaldehyde, 3-chloro-4-hydroxy-
3-CHLORO-4-HYROXYBENZALDEHYDE
3-Chloro-4-hydroxybenzaldehyde 98%
3-Chloro-4-hydroxybenzaldehyde, 99+% | [Molecular Formula]
C7H5ClO2 | [MDL Number]
MFCD00052184 | [Molecular Weight]
156.57 | [MOL File]
2420-16-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
133-137 °C (lit.) | [Boiling point ]
150 °C / 14mmHg | [density ]
1.2683 (rough estimate) | [refractive index ]
1.5812 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
6.30±0.18(Predicted) | [color ]
White to Light yellow to Light orange | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H | [InChIKey]
VGSOCYWCRMXQAB-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(O)C(Cl)=C1 | [CAS DataBase Reference]
2420-16-8(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Chloro-4-hydroxybenzaldehyde(2420-16-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant/Air Sensitive | [HS Code ]
29130000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
3-Chloro-4-hydroxybenzaldehyde serves as a precursor in the nitro-aldol synthesis of 3-chloro-4-hydroxynitrostyrene, where refluxing with nitromethane and ammonium acetate yields the product[6]. | [Synthesis]
The general procedure for the synthesis of 3-chloro-4-hydroxybenzaldehyde from 4-hydroxybenzaldehyde was as follows: N-chlorosuccinimide (1.1 g, 8.18 mmol) was added to a solution of 4-hydroxybenzaldehyde (1.0 g, 8.18 mmol) dissolved in 10 ml of chloroform. The reaction mixture was heated and stirred at 50°C for 15 hours. After completion of the reaction, it was cooled to room temperature and concentrated under reduced pressure to remove the solvent. The residue was dissolved in 25 ml of ethyl acetate, washed sequentially with water and saturated saline, and the organic phase was dried with anhydrous sodium sulfate. After filtration, the crude product was obtained by concentration under reduced pressure. The crude product was purified by silica gel column chromatography using 12% ethyl acetate in hexane solution as eluent to give 1.1 g (86% yield) of 3-chloro-4-hydroxybenzaldehyde.1H-NMR (400 MHz, CDCl3) δ (ppm): 9.840 (s, 1H), 7.898-7.894 (d, 1H, J = 1.6 Hz), 7.749- 7.724 (dd, 1H, J = 8.4Hz), 7.164-7.143 (d, 1H, J = 8.4Hz), 6.288 (s, 1H). | [References]
[1] Tetrahedron Letters, 1994, vol. 35, # 28, p. 5043 - 5046
[2] Patent: WO2010/127212, 2010, A1. Location in patent: Page/Page column 35
[3] Patent: WO2010/127208, 2010, A1. Location in patent: Page/Page column 55
[4] Tetrahedron Asymmetry, 1997, vol. 8, # 24, p. 4003 - 4006
[5] Synthetic Communications, 2012, vol. 42, # 24, p. 3655 - 3663,9 |
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