(2-amino-5-chlorophenyl)methanol

• ChemBase ID: 145443
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1cc(c(cc1Cl)CO)N
• Canonical SMILES: OCc1cc(Cl)ccc1N
• InChI: InChI=1S/C7H8ClNO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,9H2
• InChIKey: CLKBZWDZDVOIGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-chlorophenyl)methanol
• IUPAC Traditional name: (2-amino-5-chlorophenyl)methanol
• Synonyms: 2-Amino-5-chlorobenzyl alcohol; 2-氨基-5-氯苯甲醇

Database IDs

• CAS Number: 37585-25-4
• MDL Number: MFCD00075163
• PubChem SID: 162239649; 24860647
• PubChem CID: 586754

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 14.854565
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9804928
• LogD (pH = 7.4): 0.9810082
• Log P: 0.9810148
• Molar Refractivity: 42.3791 cm^3
• Polarizability: 15.792073 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Melting Point: 107-109 °C(lit.); 107-109°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 99%
• Linear Formula: H2NC6H3(Cl)CH2OH

DETAILS

Sigma Aldrich - 339539

Packaging
5 g in glass bottle