1-Benzothiophen-3-ylacetic acid

Names

[ Name ]:
1-Benzothiophen-3-ylacetic acid

[Synonym ]:
1-Benzothiophen-3-ylacetic acid
EINECS 214-461-2
Acetic acid,3-benzo(b)thienyl
MFCD00051637
2-(benzo[b]thiophen-3-yl)acetic acid
Benzothiophene-3-acetic acid
1-benzothiophen-3-yl-acetic acid
Benzo[b]thiophene-3-acetic acid
3-benzo[b]thienylacetic acid
3-Benzo(b)thiopheneacetic acid
(Benzo[b]thiophen-3-yl)acetic acid
<1>benzothien-3-ylacetic acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
378.7±17.0 °C at 760 mmHg

[ Melting Point ]:
82 °C

[ Molecular Formula ]:
C₁₀H₈O₂S

[ Molecular Weight ]:
192.234

[ Flash Point ]:
182.9±20.9 °C

[ Exact Mass ]:
192.024506

[ PSA ]:
65.54000

[ LogP ]:
3.67

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.688

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF4800000

CHEMICAL NAME :: Acetic acid, 3-benzo(b)thienyl-

CAS REGISTRY NUMBER :: 1131-09-5

BEILSTEIN REFERENCE NO. :: 0143357

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H8-O2-S

MOLECULAR WEIGHT :: 192.24

WISWESSER LINE NOTATION :: T56 BSJ D1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,598,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JSOOAX Journal of the Chemical Society, Section C: Organic. (London, UK) No.1-24, 1966-71. For publisher information, see JCPRB4. Volume(issue)/page/year: (12),1612,1969

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RTECS ]:
AF4800000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%