CAS No.30319-05-2,3-bromo-2-methylthiophene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30319-05-2
Name:	3-bromo-2-methylthiophene
Article Data:	25

Formula:	C₅H₅BrS
Molecular Weight:	177.065
Synonyms:	2-Methyl-3-bromothiophene;NSC 69783;3-Bromo-2-methylthiophene;
EINECS:	250-128-8
Density:	1.589 g/cm³
Boiling Point:	179 °C at 760 mmHg
Flash Point:	62 °C
Hazard Symbols:	Xi
PSA:	28.24000
LogP:	2.81900

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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