2,4-Dichlorobenzyl alcohol

• CAS: 1777-82-8
• Catalog Number: ACM1777828
• Category: Inhibitors
• Molecular Weight: 177.03
• Molecular Formula: C7H6Cl2O
• Description: 2,4-Dichlorobenzyl alcohol is a mild antiseptic, with a broad spectrum for bacterial and virus associated with mouth and throat infections.
• Synonyms: 2,4-Dichloro-benzenemethanol
• IUPAC Name: (2,4-Dichlorophenyl)methanol
• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CO
• InChI: InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
• InChI Key: DBHODFSFBXJZNY-UHFFFAOYSA-N
• Boiling Point: 150 °C/25 mmHg
• Melting Point: 55-58 °C(lit.)
• Flash Point: >230 °F
• Density: 1.2970 g/cm³
• Solubility: Soluble in water, methanol, chloroform
• Appearance: White - light yellow crystals
• Storage: 2-8 °C
• Assay: 0.98
• Complexity: 108
• EC Number: 217-210-5
• Exact Mass: 175.9795702
• Hazard Statements: Xi
• MDL Number: MFCD00004606
• Monoisotopic Mass: 175.9795702
• Packaging: 1 kg
• pKa: 13.60±0.10(Predicted)
• Refractive Index: 1.5756
• Safety Description: 24/25
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
• Supplemental Hazard Statements: H318
• Symbol: GHS05
• Topological Polar Surface Area: 20.2 Ų

Custom Q&A

What is the molecular formula of 2,4-Dichlorobenzyl alcohol?

The molecular formula of 2,4-Dichlorobenzyl alcohol is C7H6Cl2O.

What is the molecular weight of 2,4-Dichlorobenzyl alcohol?

The molecular weight of 2,4-Dichlorobenzyl alcohol is 177.02 g/mol.

What role does 2,4-Dichlorobenzyl alcohol have as a compound?

2,4-Dichlorobenzyl alcohol has a role as an antiseptic drug.

How is 2,4-Dichlorobenzyl alcohol categorized by the FDA?

2,4-Dichlorobenzyl alcohol is categorized as an inactive ingredient for approved drug products by the FDA.

What is the IUPAC Name of 2,4-Dichlorobenzyl alcohol?

The IUPAC Name of 2,4-Dichlorobenzyl alcohol is (2,4-dichlorophenyl)methanol.

What is the Canonical SMILES of 2,4-Dichlorobenzyl alcohol?

The Canonical SMILES of 2,4-Dichlorobenzyl alcohol is C1=CC(=C(C=C1Cl)Cl)CO.

What is the CAS number for 2,4-Dichlorobenzyl alcohol?

The CAS number for 2,4-Dichlorobenzyl alcohol is 1777-82-8.

What is the European Community (EC) Number for 2,4-Dichlorobenzyl alcohol?

The European Community (EC) Number for 2,4-Dichlorobenzyl alcohol is 217-210-5.

What is the UNII number for 2,4-Dichlorobenzyl alcohol?

The UNII number for 2,4-Dichlorobenzyl alcohol is 1NKX3648J9.

What is the XLogP3 value of 2,4-Dichlorobenzyl alcohol?

The XLogP3 value of 2,4-Dichlorobenzyl alcohol is 2.5.

Synthetic Use

Upstream Synthesis Route 1

• 874-42-0

• 1777-82-8

Reference: [1]Location in patent: experimental part
Kouhkan, Mehri; Zeynizadeh, Behzad
[Bulletin of the Korean Chemical Society, 2010, vol. 31, # 10, p. 2961 - 2966]

Upstream Synthesis Route 2

• 874-42-0

• 1777-82-8
• 50-84-0

Reference: [1]van de Lande
[Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 98,109]
[2]van de Lande
[Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 98,109]
[3]Zhao, Qiangqiang; Sun, Jie; Liu, Baojiang; He, Jinxin
[Dyes and Pigments, 2013, vol. 99, # 2, p. 339 - 347]

Upstream Synthesis Route 3

• 50-84-0

• 1777-82-8

Reference: [1]Patent: CN106117028,2016,A .Location in patent: Paragraph 0047; 0048; 0049; 0050; 0051; 0052

Downstream Synthesis Route 1

• 1777-82-8

• 94-99-5

Reference: [1] Patent: CN106117028, 2016, A, . Location in patent: Paragraph 0053; 0054; 0055; 0056

Downstream Synthesis Route 2

• 1777-82-8

• 20443-99-6

Reference: [1] Tetrahedron Letters, 2014, vol. 55, # 1, p. 90 - 93

Downstream Synthesis Route 3

• 1777-82-8

• 22916-47-8

Reference: [1] Organic and Biomolecular Chemistry, 2018, vol. 16, # 23, p. 4288 - 4294

* For details of the synthesis route, please refer to the original source to ensure accuracy.