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| CAS No.: | 579511-01-6 |
|---|---|
| Name: | 3'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER |
| Molecular Structure: | |
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|
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| Formula: | C14H12O3 |
| Molecular Weight: | 228.247 |
| Synonyms: | 3'-Hydroxybiphenyl-4-carboxylic acid methyl ester;Methyl 3′-hydroxy-[1,1′-biphenyl]-4-carboxylate;Methyl 3-(4-hydroxyphenyl)benzoate;Methyl 4-(3-hydroxyphenyl)benzoate; |
| Density: | 1.194 g/cm3 |
| Melting Point: | 153-157 °C(lit.) |
| Boiling Point: | 404.8 °C at 760 mmHg |
| Flash Point: | 175.9 °C |
| Hazard Symbols: |
 Xi, N
|
| Risk Codes: | 37/38-41-50/53 |
| Safety: | 26-36-60-61 |
| PSA: | 46.53000 |
| LogP: | 2.84580 |
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- Total:17 Page 1 of 1 1
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Specification
The [1,1'-Biphenyl]-4-carboxylicacid, 3'-hydroxy-, methyl ester, with the CAS registry number 579511-01-6, is also known as 3'-Hydroxybiphenyl-4-carboxylic acid methyl ester. This chemical's molecular formula is C14H12O3 and molecular weight is 228.24. What's more, its systematic name is methyl 3'-hydroxybiphenyl-4-carboxylate.
Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 3'-hydroxy-, methyl ester are: (1)ACD/LogP:3.64; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):3.64; (4)ACD/LogD (pH 7.4):3.63; (5)ACD/BCF (pH 5.5):341.84; (6)ACD/BCF (pH 7.4):339.48; (7)ACD/KOC (pH 5.5):2266.25; (8)ACD/KOC (pH 7.4):2250.6; (9)#H bond acceptors:3; (10)#H bond donors:1; (11)#Freely Rotating Bonds:4; (12)Polar Surface Area:35.53 Å2; (13)Index of Refraction:1.59; (14)Molar Refractivity:64.49 cm3; (15)Molar Volume:191 cm3; (16)Polarizability:25.56×10-24cm3; (17)Surface Tension:47.1 dyne/cm; (18)Density:1.194 g/cm3; (19)Flash Point:175.9 °C; (20)Enthalpy of Vaporization:68.19 kJ/mol; (21)Boiling Point:404.8 °C at 760 mmHg; (22)Vapour Pressure:3.93E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It also presents an immediate or delayed danger to one or more components of the environment. It is irritating to respiratory system and skin. What's more, there will be a risk of serious damage to eyes. It is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. This material and its container must be disposed of as hazardous waste. At last, It should not be released to the environment and you'd better refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1)c2cc(O)ccc2
(2)Std. InChI: InChI=1S/C14H12O3/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9,15H,1H3
(3)Std. InChIKey: LIQIQAWUDHGWSL-UHFFFAOYSA-N