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3-Bromo-2-methylthiophene

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Name

3-Bromo-2-methylthiophene

EINECS 250-128-8
CAS No. 30319-05-2 Density 1.589 g/cm3
PSA 28.24000 LogP 2.81900
Solubility N/A Melting Point N/A
Formula C5H5BrS Boiling Point 179 °C at 760 mmHg
Molecular Weight 177.065 Flash Point 62 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30319-05-2 (3-bromo-2-methylthiophene) Hazard Symbols IrritantXi
Synonyms

2-Methyl-3-bromothiophene;NSC 69783;3-Bromo-2-methylthiophene;

Article Data 25

3-Bromo-2-methylthiophene Specification

The IUPAC name of 3-Bromo-2-methylthiophene is 3-bromo-2-methylthiophene. With the CAS registry number 30319-05-2, it is also named as 2-Methyl-3-bromothiophene. The product's category is Thiophens. In addition, its molecular formula is C5H5BrS and molecular weight is 177.06.

The other characteristics of 3-Bromo-2-methylthiophene can be summarized as: (1)EINECS: 250-128-8; (2)ACD/LogP: 3.08; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.08; (5)ACD/LogD (pH 7.4): 3.08; (6)ACD/BCF (pH 5.5): 129.08; (7)ACD/BCF (pH 7.4): 129.08; (8)ACD/KOC (pH 5.5): 1128.68; (9)ACD/KOC (pH 7.4): 1128.68; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Polar Surface Area: 28.24 Å2; (14)Index of Refraction: 1.581; (15)Molar Refractivity: 37.15 cm3; (16)Molar Volume: 111.3 cm3; (17)Polarizability: 14.72×10-24cm3; (18)Surface Tension: 39.1 dyne/cm; (19)Density: 1.589 g/cm3; (20)Flash Point: 62 °C; (21)Enthalpy of Vaporization: 39.82 kJ/mol; (22)Boiling Point: 179 °C at 760 mmHg; (23)Vapour Pressure: 1.3 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1c(scc1)C
(2)InChI: InChI=1/C5H5BrS/c1-4-5(6)2-3-7-4/h2-3H,1H3
(3)InChIKey: DFTNCGRDYHINDS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H5BrS/c1-4-5(6)2-3-7-4/h2-3H,1H3
(5)Std. InChIKey: DFTNCGRDYHINDS-UHFFFAOYSA-N

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