Benzo[b]thiophene-3-aceticacid, 5-chloro- supplier

Name
5-CHLOROBENZO[B]THIOPHENE-3-ACETIC ACID
EINECS -0
CAS No. 17266-30-7
Article Data3
CAS DataBase
Density 1.487 g/cm³
Solubility
Melting Point 148-150°C
Formula C₁₀H₇ClO₂S
Boiling Point 410.6 °C at 760 mmHg
Molecular Weight 226.683
Flash Point 202.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms (5-Chlorobenzo[b]thiophen-3-yl)aceticacid;2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid;3-(5-Chlorobenzo[b]thienyl)aceticacid;5-Chlorobenzo[b]thiophene-3-acetic acid;5-Chlorothianaphthene-3-aceticacid;[5-Chlorobenzothiophene-3-yl]acetic acid;
PSA 65.54000
LogP 3.18180

Benzo[b]thiophene-3-aceticacid, 5-chloro- Specification

The Benzo[b]thiophene-3-aceticacid, 5-chloro- is an organic compound with the formula C₁₀H₇ClO₂S. The IUPAC name of this chemical is 2-(5-Chloro-1-benzothiophen-3-yl)acetic acid. With the CAS registry number 17266-30-7, it is also named as (5-Chloro-1-benzothien-3-yl)acetic acid. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about Benzo[b]thiophene-3-aceticacid, 5-chloro- are: (1)ACD/LogP: 4.26; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 40.21; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 195.37; (7)ACD/KOC (pH 7.4): 3.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.54 Å²; (12)Index of Refraction: 1.693; (13)Molar Refractivity: 58.48 cm³; (14)Molar Volume: 152.4 cm³; (15)Polarizability: 23.18×10^-24 cm³; (16)Surface Tension: 62.4 dyne/cm; (17)Density: 1.487 g/cm³; (18)Flash Point: 202.1 °C; (19)Enthalpy of Vaporization: 69.91 kJ/mol; (20)Boiling Point: 410.6 °C at 760 mmHg; (21)Vapour Pressure: 1.77E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
(2)InChIKey: QQKKTOPRRGBBCT-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
(4)Std. InChIKey: QQKKTOPRRGBBCT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 512mg/kg (512mg/kg)		Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1612, 1969.

Product Name

5-CHLOROBENZO[B]THIOPHENE-3-ACETIC ACID

Benzo[b]thiophene-3-aceticacid, 5-chloro- Specification

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