5-chloro-2-methoxyaniline

• ChemBase ID: 19650
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(cc(ccc1OC)Cl)N
• Canonical SMILES: COc1ccc(cc1N)Cl
• InChI: InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
• InChIKey: WBSMIPLNPSCJFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxyaniline
• IUPAC Traditional name: 5-chloro-2-methoxyaniline
• Synonyms: p-CHLORO-o-AMINOANISOLE; 2-Amino-4-chloroanisole; 5-Chloro-o-anisidine; 5-Chloro-2-methoxyaniline; 5-Chloro-2-methoxyaniline; 2-氨基-4-氯苯甲醚; 5-氯邻茴香胺; 5-氯-2-甲氧基苯胺

Database IDs

• CAS Number: 95-03-4
• EC Number: 202-385-2
• MDL Number: MFCD00007777
• Beilstein Number: 879161
• PubChem SID: 160982957; 24854029
• PubChem CID: 66763

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5871061
• LogD (pH = 7.4): 1.5906479
• Log P: 1.5906932
• Molar Refractivity: 42.0264 cm^3
• Polarizability: 15.859723 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-84°C; 79-84°C; 81-83 °C; 81-83 °C(lit.)
• Boiling Point: 135°C/8mm; 135°C/8mm
• Flash Point: >110°C; 136 °C; 276.8 °F

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2233; UN2233
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22-36/37/38; 24/25-33-36/38
• Safety Statements: 26-28-36/37-45; 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H315-H319-H373; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2233 6.1/PG 3

Product Information

• Purity: ≥98.0% (HPLC); 97%; 98%
• Grade: technical
• Linear Formula: ClC6H3(OCH3)NH2

DETAILS

MP Biomedicals - 05209830

MP Biomedicals Rare Chemical collection