Benzene,2-isothiocyanato-1,4-dimethyl- supplier

Name
2,5-DIMETHYLPHENYL ISOTHIOCYANATE
EINECS
CAS No. 19241-15-7
Article Data7
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₉H₉NS
Boiling Point 273.5 °C at 760 mmHg
Molecular Weight 163.243
Flash Point 121.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi,C:;
Molecular Structure
Hazard Symbols Xi,C
Synonyms Isothiocyanicacid, 2,5-xylyl ester (8CI);2,5-Dimethylphenyl isothiocyanate;
PSA 44.45000
LogP 3.03770

Benzene,2-isothiocyanato-1,4-dimethyl- Specification

The Benzene,2-isothiocyanato-1,4-dimethyl-, with the CAS registry number 19241-15-7, is also known as 2,5-Dimethylphenyl isothiocyanate. This chemical's molecular formula is C₉H₉NS and molecular weight is 163.23946. Its IUPAC name is called 2-isothiocyanato-1,4-dimethylbenzene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes and may destroy living tissue on contact.

Physical properties of Benzene,2-isothiocyanato-1,4-dimethyl-: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 4.16; (3)ACD/LogD (pH 7.4): 4.16; (4)ACD/BCF (pH 5.5): 853.65; (5)ACD/BCF (pH 7.4): 853.65; (6)ACD/KOC (pH 5.5): 4363.26; (7)ACD/KOC (pH 7.4): 4363.26; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 51.48 cm³; (12)Molar Volume: 160.4 cm³; (13)Surface Tension: 31.6 dyne/cm; (14)Density: 1.01 g/cm³; (15)Flash Point: 121.2 °C; (16)Enthalpy of Vaporization: 49.13 kJ/mol; (17)Boiling Point: 273.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00953 mmHg at 25°C.

Uses of Benzene,2-isothiocyanato-1,4-dimethyl-: it can be used to produce 3-[3-(2,5-dimethyl-phenyl)-thioureido]-2,2-dimethyl-propionic acid methyl ester. This reaction will need solvent methanol. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)C)N=C=S
(2)InChI: InChI=1S/C9H9NS/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
(3)InChIKey: RCBXZRJVMSWGAO-UHFFFAOYSA-N

Product Name

2,5-DIMETHYLPHENYL ISOTHIOCYANATE

Benzene,2-isothiocyanato-1,4-dimethyl- Specification

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