(2,4-dichlorophenyl)methanamine

• ChemBase ID: 52370
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: NCc1c(cc(cc1)Cl)Cl
• Canonical SMILES: NCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
• InChIKey: SJUKJZSTBBSGHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dichlorophenyl)methanamine
• IUPAC Traditional name: (2,4-dichlorophenyl)methanamine
• Synonyms: 2,4-Dichlorobenzylamine; 2,4-Dichlorobenzylamine; (2,4-Dichlorophenyl)methanamine; 2,4-二氯苄胺

Database IDs

• CAS Number: 95-00-1
• EC Number: 202-382-6
• MDL Number: MFCD00008109
• Beilstein Number: 775667
• PubChem SID: 162057133; 24861827; 24893974
• PubChem CID: 1485

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6327636
• LogD (pH = 7.4): 0.5684339
• Log P: 2.3071036
• Molar Refractivity: 44.141 cm^3
• Polarizability: 17.44029 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 258-260°C; 83-84 °C/5 mmHg(lit.); 83-84°C/5mm
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.308 g/mL at 25 °C(lit.); 1.32; 1.320
• Refractive Index: 1.5780; n20/D 1.578(lit.); n20/D 1.579

Safety Information

• Storage Warning: Air Sensitive; CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: Cl2C6H3CH2NH2

DETAILS

MP Biomedicals - 05208980

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D58406

Packaging
5, 25 g in glass bottle