(2-ethylphenyl)hydrazine hydrochloride

• ChemBase ID: 69450
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: N(N)c1c(cccc1)CC.Cl
• Canonical SMILES: NNc1ccccc1CC.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-2-7-5-3-4-6-8(7)10-9;/h3-6,10H,2,9H2,1H3;1H
• InChIKey: HBHPTOKYVGZBAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-ethylphenyl)hydrazine hydrochloride
• Synonyms: 2-Ethylphenylhydrazine hydrochloride; 2-Ethylphenylhydrazine hydrochloride; 2-Ethylphenylhydrazine hydrochloride 97%; 2-Ethylphenylhydrazinehydrochloride; (2-ethylphenyl)hydrazine hydrochloride; 2-乙基苯肼 盐酸盐

Database IDs

• CAS Number: 58711-02-7; 19398-06-2
• MDL Number: MFCD02663066; MFCD00071599
• Beilstein Number: 3697547
• PubChem SID: 162035176; 24864551
• PubChem CID: 2733209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0890806
• LogD (pH = 7.4): 2.3189948
• Log P: 2.3228786
• Molar Refractivity: 45.4069 cm^3
• Polarizability: 16.517996 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177-179°C; 178 °C (dec.)(lit.)
• Hydrophobicity(logP): 2.293

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-43-50/53
• Safety Statements: 26-36/37-60-61
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Linear Formula: C2H5C6H4NHNH2·HCl

DETAILS

Sigma Aldrich - 393916

Packaging
10 g in glass bottle