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

Benzene,1-(isocyanatomethyl)-3-methyl-

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Benzene,1-(isocyanatomethyl)-3-methyl-

EINECS N/A
CAS No. 61924-25-2 Density 0.98 g/cm3
PSA 29.43000 LogP 1.83080
Solubility N/A Melting Point 220.3 °C at 760 mmHg
Formula C9H9NO Boiling Point 34-36 °C0.1 mm Hg(lit.)
Molecular Weight 147.177 Flash Point 64.4 °C
Transport Information UN 2206 Appearance clear colorless to yellow liquid
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 61924-25-2 (3-METHYLBENZYL ISOCYANATE) Hazard Symbols HarmfulXn
Synonyms

1-(Isocyanatomethyl)-3-methylbenzene;3-Methylbenzyl isocyanate;

 

Benzene,1-(isocyanatomethyl)-3-methyl- Specification

The Benzene, 1-(isocyanatomethyl)-3-methyl-, with the CAS registry number of 61924-25-2, is also known as 3-Methylbenzyl isocyanate and 3-Methbenzylisocyanate. It belongs to the product categories of Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C9H9NO and molecular weight is 147.17. What's more, its IUPAC name is 1-(Isocyanatomethyl)-3-methylbenzene. In addition, it should be stored in dry, cool, airtight place.

Physical properties about Benzene, 1-(isocyanatomethyl)-3-methyl- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 126.06; (6)ACD/BCF (pH 7.4): 126.06; (7)ACD/KOC (pH 5.5): 1109.68; (8)ACD/KOC (pH 7.4): 1109.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 45.19 cm3; (15)Molar Volume: 149.9 cm3; (16)Polarizability: 17.91×10-24 cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 64.4 °C; (20)Enthalpy of Vaporization: 45.67 kJ/mol; (21)Boiling Point: 220.3 °C at 760 mmHg; (22)Vapour Pressure: 0.114 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. 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: O=C=N\Cc1cccc(c1)C
(2) InChI: InChI=1/C9H9NO/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3
(3) InChIKey: JCUQBSLBFAVVOS-UHFFFAOYAI

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 61924-25-2