| Identification | More | [Name]
3,4-Dichlorobenzyl alcohol | [CAS]
1805-32-9 | [Synonyms]
3,4-DICHLORBENZYL ALCOHOL
3,4-dichloro-1-(hydroxymethyl)-benzene
3,4-DICHLOROBENZYL ALCOHOL
LABOTEST-BB LT02003790
RARECHEM AL BD 0536
(3,4-Dichlorophenyl)methanol
Benzenemethanol, 3,4-dichloro-
Benzyl alcohol, 3,4-dichloro-
3,4-Dichlorobenzoyl alcohol
3 4-DICHLOROBENZYL ALCOHOL 98%
3,4-DICHLOROBENZENEALCOHOL
3,4-DICHLOROBENZYL ALCOHOL 98+%
3,4-Dichlorobenzenemethanol | [EINECS(EC#)]
217-299-0 | [Molecular Formula]
C7H6Cl2O | [MDL Number]
MFCD00004633 | [Molecular Weight]
177.03 | [MOL File]
1805-32-9.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE LOW MELTING SOLID | [Melting point ]
35-38 °C(lit.) | [Boiling point ]
148-151 °C(lit.) | [density ]
1.2970 (rough estimate) | [refractive index ]
1.5570 (estimate) | [Fp ]
>110°C | [storage temp. ]
2-8°C
| [form ]
neat | [pka]
13.70±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
2082362 | [InChI]
1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2 | [InChIKey]
FVJIUQSKXOYFKG-UHFFFAOYSA-N | [SMILES]
Clc1c(ccc(c1)CO)Cl | [CAS DataBase Reference]
1805-32-9(CAS DataBase Reference) | [NIST Chemistry Reference]
3,4-Dichlorobenzyl alcohol(1805-32-9) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi,Xn | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29062900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE LOW MELTING SOLID | [Uses]
2,4-Dichlorobenzyl alcohol impurity C EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia. | [Synthesis]
The general procedure for the synthesis of 3,4-dichlorobenzyl alcohol from 3,4-dichlorobenzaldehyde was as follows: 3,4-dichlorobenzaldehyde (1 mmol) was dissolved in 10 mL of methanol (ethanol was used in the case of ketone substrates) and the solution was cooled to 0°C. Subsequently, NaBH4 (3 mmol) was added to the reaction system in batches with continuous stirring until the reaction was complete, and the progress of the reaction was monitored by TLC (unfolding agent ratio of 9:1 heptane/ethyl acetate). Upon completion of the reaction, the reaction was quenched with 0.1N NaOH solution (10 mL), followed by three extractions with ethyl acetate. The organic phases were combined, washed with saturated saline and dried with anhydrous Na2SO4. The solvent was removed by concentration under reduced pressure and the yellow oily crude product obtained was purified by flash column chromatography. | [Purification Methods]
Crystallise the alcohol from EtOH (m 32-34o) or water (m 38o, needles). Its solubility at 20o is 1g in 1250mL of H2O. [Beilstein 6 H 445, 6 III 1558, 6 IV 2598.] | [References]
[1] European Journal of Medicinal Chemistry, 2016, vol. 108, p. 564 - 576
[2] Synthetic Communications, 2002, vol. 32, # 2, p. 219 - 223
[3] Bulletin of the Korean Chemical Society, 2015, vol. 36, # 6, p. 1676 - 1680
[4] Phytochemistry, 1999, vol. 51, # 5, p. 621 - 627
[5] Journal of Medicinal Chemistry, 1999, vol. 42, # 6, p. 1007 - 1017 |
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