Methyl 4'-bromomethyl biphenyl-2-carboxylate supplier

Name
Methyl 4'-bromomethyl biphenyl-2-carboxylate
EINECS 601-325-6
CAS No. 114772-38-2
Article Data30
CAS DataBase
Density 1.374 g/cm³
Solubility
Melting Point 56 °C
Formula C₁₅H₁₃BrO₂
Boiling Point 412.8 °C at 760 mmHg
Molecular Weight 305.171
Flash Point 203.5 °C
Transport Information
Appearance off-white solid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-Bromomethylphenyl)benzoicacid methyl ester;2'-(Methoxycarbonyl)biphenyl-4-ylmethyl bromide;4-(2'-Carbomethoxyphenyl)benzyl bromide;4'-(Bromomethyl)biphenyl-2-carboxylicacid methyl ester;Methyl 2-(4'-bromomethylphenyl)benzoate;Methyl2-[4-(bromomethyl)phenyl]benzoate;Methyl4'-(bromomethyl)-1,1'-biphenyl-2-carboxylate;Methyl 4'-(bromomethyl)biphenyl-2-carboxylate;Methyl 4'-bromomethyl biphenyl-2-carboxylate;
PSA 26.30000
LogP 4.03510

Methyl 4'-bromomethyl biphenyl-2-carboxylate Specification

The Methyl 4'-bromomethyl biphenyl-2-carboxylate. With the CAS registry number 114772-38-2, it is also named as 4'-Bromomethyl-(1,1'-biphenyl)-2-carboxylic acid methyl ester. The product's categories are Chemical Intermediate for Telmisartan; Biphenyl & Diphenyl ether; Intermediate of Telmisartan; Hypertension; Aromatics. What's more,Its systematic name is Methyl 4'-(bromomethyl)-2-biphenylcarboxylate. Besides, it is off-white solid, which is used as pharmaceutical intermediates to produce Chastain series. In addition, its molecular formula is C₁₅H₁₃BrO₂ and molecular weight is 305.17.

The characteristics of Methyl 4'-bromomethyl biphenyl-2-carboxylate are:
(1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 774.66; (6)ACD/BCF (pH 7.4): 774.66; (7)ACD/KOC (pH 5.5): 4070.29; (8)ACD/KOC (pH 7.4): 4070.29; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 75.26 cm³; (15)Molar Volume: 222.1 cm³; (16)Polarizability: 29.83×10^-24cm³; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.374 g/cm³; (19)Flash Point: 203.5 °C; (20)Melting Point: 56 °C; (21)Enthalpy of Vaporization: 66.55 kJ/mol; (22)Boiling Point: 412.8 °C at 760 mmHg; (23)Vapour Pressure: 5.04E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:COC(=O)c2ccccc2c1ccc(CBr)cc1
(2)InChI:InChI=1/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
(3)InChIKey:RMXGTMRDXKUUDJ-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
(5)Std. InChIKey:RMXGTMRDXKUUDJ-UHFFFAOYSA-N

Product Name

Methyl 4'-bromomethyl biphenyl-2-carboxylate

Methyl 4'-bromomethyl biphenyl-2-carboxylate Specification

Related Products

Hot Products