Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate supplier

Name
METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE
EINECS
CAS No. 89901-03-1
Article Data18
CAS DataBase
Density 1.394 g/cm³
Solubility Slightly soluble in water.
Melting Point 146-148 °C
Formula C₁₄H₁₁BrO₂
Boiling Point 382.7 °C at 760 mmHg
Molecular Weight 291.144
Flash Point 185.3 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi,N
Synonyms 4'-Bromobiphenyl-4-carboxylicacid methyl ester;Methyl 4'-bromobiphenyl-4-carboxylate;
PSA 26.30000
LogP 3.90270

Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate Specification

The Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate, with the CAS registry number 189901-03-1, has the systematic name of (6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one and IUPAC name of methyl 4-(4-bromophenyl)benzoate. The molecular formula of the chemical is C₁₄H₁₁BrO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): ; (4)ACD/LogD (pH 7.4): ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.588; (10)Molar Refractivity: 70.3 cm³; (11)Molar Volume: 208.7 cm³; (12)Polarizability: 27.87×10^-24cm³; (13)Surface Tension: 43.4 dyne/cm; (14)Density: 1.394 g/cm³; (15)Flash Point: 185.3 °C; (16)Enthalpy of Vaporization: 63.12 kJ/mol; (17)Boiling Point: 382.7 °C at 760 mmHg; (18)Vapour Pressure: 4.62E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. 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: Brc2ccc(c1ccc(C(=O)OC)cc1)cc2
(2)InChI: InChI=1/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
(3)InChIKey: JHNMJLKCONRGMK-UHFFFAOYAM

Product Name

METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE

Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate Specification

Related Products

Hot Products