1-Benzothiophen-3-ylacetic acid

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Names

[ CAS No. ]:
1131-09-5

[ 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

  • Benzo[b]thiophene-3-acetonitrile
  • 3-(chloromethyl)-1-benzothiophene
  • Thianaphthene
  • Benzo[b]thiophen-3(2H)-one
  • 1-Benzothiophene-3-carboxylic acid
  • BENZOTHIOPHENE-3-CARBONYL CHLORIDE
  • Ethyl 2-Chloroacetoacetate
  • Sodium benzenethiolate

DownStream

  • 3-Phenylbutyric acid
  • 2-(1-Benzothiophen-3-yl)ethanol
  • Benzo[b]thiophene-3-acetamide
  • 2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-carboxamide
  • methyl 2-benzothiophen-3-ylacetate
  • [3-(1-benzothiophen-3-yl)-2-oxopropyl] acetate

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%

Related Compounds

  • 1-benzothiophen-3-yl-hydroxy-oxophosphanium
  • 1-benzothiophen-3-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride
  • 1,3-Benzothiazol-2-ylacetic acid
  • 1,3-Thiazol-2-Ylacetic Acid
  • 1,3-Benzodioxol-5-ylacetic acid
  • 1,3-Benzoxazol-2-ylacetic acid
  • 4-(6-Isopropyl-5-methoxypyridin-2-ylamino)-6-chloropyridazine-3-carboxamide
  • 2-(Ethyl(6-(methylamino)pyrimidin-4-yl)amino)ethan-1-ol
  • tert-butyl N-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamate
  • Tert-butyl 3-(4-fluoro-3-methylphenyl)piperazine-1-carboxylate
  • tert-butyl N-[2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethyl]carbamate
  • tert-butyl N-{2-amino-2-[4-(propan-2-yloxy)phenyl]ethyl}carbamate
  • (1R,2R)-2-(furan-3-yl)cyclopropane-1-carboxylic acid
  • 1-(4-Bromo-3-methoxyphenyl)guanidine
  • 3-(4-Bromophenyl)-1-ethyl-1H-pyrazole-5-carboxylic acid
  • 4-Bromo-2-(3,4-dimethoxyphenyl)pyrimidine
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