Benzene,1-isocyanato-4-(phenylmethoxy)- supplier

Name
4-BENZYLOXYPHENYL ISOCYANATE
EINECS
CAS No. 50528-73-9
Article Data4
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point 60-62 °C(lit.)
Formula C₁₄H₁₁NO₂
Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 225.247
Flash Point 158.5 °C
Transport Information UN 2206
Appearance light yellow to slightly brown crystalline mass
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Benzyloxy-4-isocyanato-benzene;1-Isocyanato-4-[(phenylmethyl)oxy]benzene;1-Isocyanato-4-benzyloxybenzene;1-[(4-Isocyanatophenoxy)methyl]benzene;4-(Benzyloxy)phenyl isocyanate;NSC82829;p-(Benzyloxy)phenyl isocyanate;1-isocyanato-4-phenylmethoxybenzene;
PSA 38.66000
LogP 3.23290

Benzene,1-isocyanato-4-(phenylmethoxy)- Specification

The Benzene,1-isocyanato-4-(phenylmethoxy)-, with the CAS registry number 50528-73-9, has the systematic name of 1-(benzyloxy)-4-isocyanatobenzene. It is a kind of light yellow to slightly brown crystalline mass, and belongs to the following product categories: Isocyanates; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₁₄H₁₁NO₂.

The characteristics of Benzene,1-isocyanato-4-(phenylmethoxy)- are as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 38.66 Å²; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 67.26 cm³; (9)Molar Volume: 209.4 cm³; (10)Polarizability: 26.66×10^-24cm³; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.07 g/cm³; (13)Flash Point: 158.5 °C; (14)Enthalpy of Vaporization: 59.51 kJ/mol; (15)Boiling Point: 350.5 °C at 760 mmHg; (16)Vapour Pressure: 4.37E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also Harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C=N\c2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C14H11NO2/c16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12/h1-9H,10H2
(3)InChIKey: HFIHSWMJFCMLJE-UHFFFAOYAM

Product Name

4-BENZYLOXYPHENYL ISOCYANATE

Benzene,1-isocyanato-4-(phenylmethoxy)- Specification

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