(4-tert-butylphenyl)hydrazine hydrochloride

• ChemBase ID: 74898
• Molecular Formular: C10H17ClN2
• Molecular Mass: 200.70838
• Monoisotopic Mass: 200.10802623
• SMILES: N(c1ccc(cc1)C(C)(C)C)N.Cl
• Canonical SMILES: NNc1ccc(cc1)C(C)(C)C.Cl
• InChI: InChI=1S/C10H16N2.ClH/c1-10(2,3)8-4-6-9(12-11)7-5-8;/h4-7,12H,11H2,1-3H3;1H
• InChIKey: VTESCYNPUGSWKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-tert-butylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-tert-butylphenyl)hydrazine hydrochloride
• Synonyms: 4-tert-Butylphenylhydrazine hydrochloride; 4-tert-Butylphenylhydrazine monohydrochloride; 4-tert-Butylphenylhydrazine hydrochloride; (4-(tert-Butyl)phenyl)hydrazine hydrochloride; (4-tert-butylphenyl)hydrazine hydrochloride; 4-叔丁基苯肼 单盐酸盐; 4-叔丁基苯肼盐酸盐

Database IDs

• CAS Number: 36600-66-5; 128231-55-0
• MDL Number: MFCD00013387
• Beilstein Number: 3700093
• PubChem SID: 162039816; 24881474
• PubChem CID: 16217458

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6714902
• LogD (pH = 7.4): 2.9059608
• Log P: 2.9099448
• Molar Refractivity: 54.4306 cm^3
• Polarizability: 20.20845 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212-216 °C (dec.)(lit.); 228(dec.)°C; ca 228°C dec.
• Hydrophobicity(logP): 3.091

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 97%
• Linear Formula: (CH3)3CC6H4NHNH2 · HCl

DETAILS

Sigma Aldrich - 593877

Packaging
1, 5 g in glass bottle