Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzene,4-bromo-1-isothiocyanato-2-methyl-

Related Products

Hot Products

Name

Benzene,4-bromo-1-isothiocyanato-2-methyl-

EINECS 242-907-6
CAS No. 19241-38-4 Density 1.44 g/cm3
PSA 44.45000 LogP 3.49180
Solubility N/A Melting Point 45 °C
Formula C8H6BrNS Boiling Point 301.3 °C at 760 mmHg
Molecular Weight 228.112 Flash Point 136 °C
Transport Information UN 2811 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 19241-38-4 (4-BROMO-2-METHYLPHENYL ISOTHIOCYANATE) Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms

Isothiocyanicacid, 4-bromo-o-tolyl ester (8CI);4-Bromo-2-methylphenyl isothiocyanate;

Article Data 6

Benzene,4-bromo-1-isothiocyanato-2-methyl- Specification

The Benzene, 4-bromo-1-isothiocyanato-2-methyl-, with the CAS registry number 19241-38-4, is also known as 4-Bromo-2-methylphenyl isothiocyanate. And its EINECS registry number is 242-907-6. This chemical's molecular formula is C8H6BrNS and molecular weight is 228.11. What's more, its IUPAC name is 4-Bromo-1-isothiocyanato-2-methylbenzene. In addition, it must be stored in airtight containers under inert gases at room temperature. Meanwhile, it should be kept away from light, oxidant, moisture, alcohol, amine.

Physical properties about Benzene, 4-bromo-1-isothiocyanato-2-methyl- are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1522.15; (6)ACD/BCF (pH 7.4): 1522.15; (7)ACD/KOC (pH 5.5): 6600.88; (8)ACD/KOC (pH 7.4): 6600.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 54.61 cm3; (15)Molar Volume: 157.7 cm3; (16)Polarizability: 21.65×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 136 °C; (20)Enthalpy of Vaporization: 51.98 kJ/mol; (21)Boiling Point: 301.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0019 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(\N=C=S)cc1)C
(2) InChI: InChI=1/C8H6BrNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
(3) InChIKey: YASXCQRGYJGIKD-UHFFFAOYAX

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 19241-38-4