2-chloroethanimidamide hydrochloride

• ChemBase ID: 7834
• Molecular Formular: C2H6Cl2N2
• Molecular Mass: 128.98844
• Monoisotopic Mass: 127.99080356
• SMILES: C(C(=N)N)Cl.Cl
• Canonical SMILES: NC(=N)CCl.Cl
• InChI: InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
• InChIKey: GUPOZVHRTJYZCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroethanimidamide hydrochloride
• IUPAC Traditional name: 2-chloroethanimidamide hydrochloride
• Synonyms: 2-Chloroacetimidamide hydrochloride; 2-Chloroacetamidine hydrochloride; 2-Chloroethanimidamide hydrochloride; 2-Chloracetamidine hydrochloride; Chloroacetamidine hydrochloride; 2-chloroethanimidamide hydrochloride; 氯乙酰胺 盐酸盐; 氯乙脒盐酸

Database IDs

• CAS Number: 10300-69-3; 20846-52-0
• EC Number: 233-675-7
• MDL Number: MFCD00053013
• Beilstein Number: 3678354
• PubChem SID: 160971141; 24881342
• PubChem CID: 2776957

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.835684
• LogD (pH = 7.4): -2.6540294
• Log P: -0.42311633
• Molar Refractivity: 31.8132 cm^3
• Polarizability: 8.177117 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C; 97-103°C; 98-103 °C(lit.); 98-99°C
• Hydrophobicity(logP): -1.111

Safety Information

• Storage Warning: IRRITANT, MOISTURE SENSITIVE; Irritant/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34-43; 36/37/38
• Safety Statements: 20-26-36/37/39-45; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318-H317; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 96%; 97%
• Salt Data: HCl
• Linear Formula: ClCH2C(NH)NH2 · HCl

DETAILS

Sigma Aldrich - 591475

Packaging
1, 5 g in glass bottle