(3-chloro-4-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 78554
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: N(c1cc(c(cc1)C)Cl)N.Cl
• Canonical SMILES: NNc1ccc(c(c1)Cl)C.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
• InChIKey: DQDFVQJOXLGGBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-4-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-chloro-4-methylphenyl)hydrazine hydrochloride
• Synonyms: 3-Chloro-p-tolylhydrazine hydrochloride; 3-CHLORO-p-TOLYLHYDRAZINE HYDROCHLORIDE; (3-chloro-4-methylphenyl)hydrazine hydrochloride; 3-Chloro-p-tolylhydrazine hydrochloride; 3-Chloro-4-methylphenylhydrazine hydrochloride; 2-Chloro-4-hydrazino-1-methylbenzene hydrochloride; 3-Chloro-4-methylphenylhydrazine hydrochloride; 1-(3-chloro-4-methylphenyl)hydrazine hydrochloride; 3-氯-4-甲基苯肼 盐酸盐; 3-氯-4-甲基苯肼 盐酸

Database IDs

• CAS Number: 51304-65-5; 54812-56-5
• EC Number: 259-357-8
• MDL Number: MFCD00012936
• PubChem SID: 24849342; 162043317
• PubChem CID: 3085075

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2854605
• LogD (pH = 7.4): 2.4792285
• Log P: 2.4823544
• Molar Refractivity: 45.6107 cm^3
• Polarizability: 16.517385 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230-231°C; 233 - 235°C; 247 °C (dec.)(lit.); ca 233°C dec.
• Hydrophobicity(logP): 2.779

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%
• Salt Data: HCl
• Linear Formula: ClC6H3(CH3)NHNH2·HCl

DETAILS

MP Biomedicals - 05225461

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 153435

Packaging
10 g in glass bottle