CAS No.17266-30-7,5-CHLOROBENZO[B]THIOPHENE-3-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17266-30-7
Name:	5-CHLOROBENZO[B]THIOPHENE-3-ACETIC ACID
Article Data:	3

Formula:	C₁₀H₇ClO₂S
Molecular Weight:	226.683
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;
EINECS:	-0
Density:	1.487 g/cm³
Melting Point:	148-150°C
Boiling Point:	410.6 °C at 760 mmHg
Flash Point:	202.1 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	65.54000
LogP:	3.18180

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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.