Benzo[b]thiophene-2-carboxylicacid, 3-amino- supplier

Name
3-AMINO-BENZENETHIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 40142-71-0
Article Data9
CAS DataBase
Density 1.511 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₂S
Boiling Point 430.9 °C at 760 mmHg
Molecular Weight 193.226
Flash Point 214.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Thianaphthenecarboxylicacid, 3-amino- (5CI);
PSA 91.56000
LogP 2.76290

Benzo[b]thiophene-2-carboxylicacid, 3-amino- Specification

The Benzo[b]thiophene-2-carboxylicacid, 3-amino- is an organic compound with the formula C₉H₇NO₂S. The systematic name of this chemical is 3-amino-1-benzothiophene-2-carboxylic acid. With the CAS registry number 40142-71-0, it is also named as 3-Amino-benzenethiophene-2-carboxylic acid. The product's categories are Carboxylic Acids; Thiophenes & Benzothiophenes; Carboxylic Acids; Thiophenes & Benzothiophenes.

Physical properties about Benzo[b]thiophene-2-carboxylicacid, 3-amino- are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 0.39; (4)ACD/BCF (pH 5.5): 5.73; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 43.33; (7)ACD/KOC (pH 7.4): 1.7; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 57.78 Å²; (12)Index of Refraction: 1.78; (13)Molar Refractivity: 53.64 cm³; (14)Molar Volume: 127.8 cm³; (15)Polarizability: 21.26×10^-24cm³; (16)Surface Tension: 79.9 dyne/cm; (17)Density: 1.511 g/cm³; (18)Flash Point: 214.4 °C; (19)Enthalpy of Vaporization: 72.35 kJ/mol; (20)Boiling Point: 430.9 °C at 760 mmHg; (21)Vapour Pressure: 3.44E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2sc1ccccc1c2N
(2)InChI: InChI=1/C9H7NO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H,11,12)
(3)InChIKey: AWUMBCKNGJAKOM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H7NO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H,11,12)
(5)Std. InChIKey: AWUMBCKNGJAKOM-UHFFFAOYSA-N

Product Name

3-AMINO-BENZENETHIOPHENE-2-CARBOXYLIC ACID

Benzo[b]thiophene-2-carboxylicacid, 3-amino- Specification

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