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| CAS No.: | 539-44-6 |
|---|---|
| Name: | p-tolyl-hydrazin |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C7H10N2 |
| Molecular Weight: | 122.17 |
| Synonyms: | Hydrazine,p-tolyl- (6CI,7CI,8CI);(4-Methylphenyl)hydrazine;1-(4-Methylphenyl)hydrazine;N-p-Methylphenylhydrazine;p-Methylphenylhydrazine;p-Tolylhydrazine; |
| EINECS: | 208-717-2 |
| Density: | 1.087 g/cm3 |
| Boiling Point: | 242.8 °C at 760 mmHg |
| Flash Point: | 115.3 °C |
| 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 |
| Risk Codes: | R20/21/22 |
| PSA: | 38.05000 |
| LogP: | 2.05390 |
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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. |