4-Methylphenylhydrazine supplier

Name
p-tolyl-hydrazin
EINECS 208-717-2
CAS No. 539-44-6
Article Data45
CAS DataBase
Density 1.087 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₂
Boiling Point 242.8 °C at 760 mmHg
Molecular Weight 122.17
Flash Point 115.3 °C
Transport Information
Appearance
Safety
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols http://www.chemspider.com/Chemical-Structure.10415.html http://www.chemicalbook.com/ProductChemicalPropertiesCB4692942_EN.htm http://chem.sis.nlm.nih.gov/chemidplus/ProxyServlet?objectHandle=Search&actionHandle=getAll3DMViewFiles&nextPage=jsp%2Fcommon%2FChemFull.jsp%3FcalledFrom%3Dlite&chemid=0000539446&formatType=_3D http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10875&loc=ec_rcs http://202.127.145.134/scdb/default.htm?nCount=2058941
Synonyms Hydrazine,p-tolyl- (6CI,7CI,8CI);(4-Methylphenyl)hydrazine;1-(4-Methylphenyl)hydrazine;N-p-Methylphenylhydrazine;p-Methylphenylhydrazine;p-Tolylhydrazine;
PSA 38.05000
LogP 2.05390

4-Methylphenylhydrazine Specification

The Hydrazine,(4-methylphenyl)-, with the CAS registry number 636-99-7 and EINECS registry number 539-44-6 and EINECS registry number 208-717-2, has the the systematic name and IUPAC name of (4-methylphenyl)hydrazine. And the molecular formula of the chemical is C₇H₁₀N₂.

The characteristics of Hydrazine,(4-methylphenyl)- are as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 6.26; (6)ACD/BCF (pH 7.4): 11.61; (7)ACD/KOC (pH 5.5): 108.12; (8)ACD/KOC (pH 7.4): 200.68; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 39.58 cm³; (15)Molar Volume: 112.3 cm³; (16)Polarizability: 15.69×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.087 g/cm³; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 47.98 kJ/mol; (21)Boiling Point: 242.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0333 mmHg at 25°C.

Uses of Hydrazine,(4-methylphenyl)-: It can react with 2,3-dihydro-1H-dibenzothiophen-4-one to produce 3-methyl-12H-benzo[4,5]thieno[2,3-a]carbazole. This reaction will need reagent acetic acid and trifluoroacetic acid. The reaction time is 12 hours with heating, and the yield is about 30%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NNc1ccc(cc1)C
(2)InChI: InChI=1/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3
(3)InChIKey: XAMBIJWZVIZZOG-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	150mg/kg (150mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Japanese Journal of Pharmacology. Vol. 9, Pg. 159, 1960.

Product Name

p-tolyl-hydrazin

4-Methylphenylhydrazine Specification

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