CAS No.114772-38-2,Methyl 4'-bromomethyl biphenyl-2-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114772-38-2
Name:	Methyl 4'-bromomethyl biphenyl-2-carboxylate
Article Data:	30

Formula:	C₁₅H₁₃BrO₂
Molecular Weight:	305.171
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;
EINECS:	601-325-6
Density:	1.374 g/cm³
Melting Point:	56 °C
Boiling Point:	412.8 °C at 760 mmHg
Flash Point:	203.5 °C
Appearance:	off-white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	4.03510

Raw Materials

88-65-3

128-08-5

Downstream Products

528560-93-2

144701-48-4

114798-32-2

Total:182 Page 1 of 5 1 2 3 4 5 Next>>

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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