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| CAS No.: | 13538-60-8 |
|---|---|
| Name: | 3-Bromophenol methylcarbamate |
| Molecular Structure: | |
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| Formula: | C8H8BrNO2 |
| Molecular Weight: | 230.061 |
| Synonyms: | Carbamicacid, methyl-, m-bromophenyl ester (7CI,8CI);Phenol, 3-bromo-, methylcarbamate(9CI);Phenol, m-bromo-, methylcarbamate (8CI);3-Bromophenyl methylcarbamate;m-Bromophenyl N-methyl carbamate;m-Bromophenyl methylcarbamate; |
| Density: | 1.512 g/cm3 |
| Boiling Point: | 273.8 °C at 760 mmHg |
| Flash Point: | 119.4 °C |
| PSA: | 38.33000 |
| LogP: | 2.55820 |
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Specification
The Phenol, 3-bromo-,1-(N-methylcarbamate), with the CAS registry number 13538-60-8, is also known as m-Bromophenyl N-methyl carbamate. This chemical's molecular formula is C8H8BrNO2 and molecular weight is 230.06. What's more, its systematic name is 3-Bromophenyl methylcarbamate.
Physical properties of Phenol, 3-bromo-,1-(N-methylcarbamate) are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.2; (6)ACD/BCF (pH 7.4): 30.2; (7)ACD/KOC (pH 5.5): 399.02; (8)ACD/KOC (pH 7.4): 399.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 48.87 cm3; (15)Molar Volume: 152 cm3; (16)Polarizability: 19.37×10-24 cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.512 g/cm3; (19)Flash Point: 119.4 °C; (20)Enthalpy of Vaporization: 51.22 kJ/mol; (21)Boiling Point: 273.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0056 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC(=O)NC)ccc1
(2)InChI: InChI=1/C8H8BrNO2/c1-10-8(11)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
(3)InChIKey: OBHYWLDQVOJAMW-UHFFFAOYSA-N