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19075-58-2

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Basic Information
CAS No.: 19075-58-2
Name: 6-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
Article Data: 17
Molecular Structure:
Molecular Structure of 19075-58-2 (6-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID)
Formula: C9H5 Br O2 S
Molecular Weight: 257.107
Synonyms: 6-Bromo-1-benzothiophene-2-carboxylicacid; 6-Bromobenzo[b]thiophene-2-carboxylic acid; 6-Bromobenzothiophene-2-carboxylicacid
Density: 1.813g/cm3
Melting Point: 262-265
Boiling Point: 429.7°Cat760mmHg
Flash Point: 213.7°C
Hazard Symbols:
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety:
Hazard Codes Xi
Hazard Note Irritant
PSA: 65.54000
LogP: 3.36200
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Chemistry

Product Name: 6-Bromobenzo[b]thiophene-2-carboxylic acid (CAS NO.19075-58-2)

Molecular Formula: C9H5BrO2S
Molecular Weight: 257.10g/mol
Mol File: 19075-58-2.mol
Melting Point: 262-265
Index of Refraction: 1.739 
Molar Refractivity: 57.1 cm3 
Molar Volume: 141.743 cm3  
Surface Tension: 67.904 dyne/cm 
Density: 1.814 g/cm3 
Flash Point: 213.652 °C 
Enthalpy of Vaporization: 72.207 kJ/mol 
Boiling Point: 429.662 °C at 760 mmHg
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 6-Bromobenzo[b]thiophene-2-carboxylic acid (CAS NO.19075-58-2):
  IUPAC Name: 6-bromo-1-benzothiophene-2-carboxylic acid
  Canonical SMILES: C1=CC2=C(C=C1Br)SC(=C2)C(=O)O
  InChI: InChI=1S/C9H5BrO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12) 
  InChIKey: CKBBSFOOIOHLPC-UHFFFAOYSA-N

Safety Profile

Safety Information of 6-Bromobenzo[b]thiophene-2-carboxylic acid (CAS NO.19075-58-2):
Hazard Codes: XiIrritant
Hazard Note: Irritant