Ethyl 2-(1H-indol-3-yl)acetate

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Names

[ CAS No. ]:
778-82-5

[ Name ]:
Ethyl 2-(1H-indol-3-yl)acetate

[Synonym ]:
Ethyl 1H-indol-3-ylacetate
ethyl 2-(1H-indol-3-yl)acetate
MFCD00005635
ethyl indole-3-acetate
1H-Indole-3-acetic acid, ethyl ester
EINECS 212-296-0

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
353.4±17.0 °C at 760 mmHg

[ Melting Point ]:
44-45 °C(lit.)

[ Molecular Formula ]:
C12H13NO2

[ Molecular Weight ]:
203.237

[ Flash Point ]:
167.5±20.9 °C

[ Exact Mass ]:
203.094635

[ PSA ]:
42.09000

[ LogP ]:
2.42

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.607

[ Storage condition ]:
-20°C

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3528000
CHEMICAL NAME :
Indole-3-acetic acid, ethyl ester
CAS REGISTRY NUMBER :
778-82-5
BEILSTEIN REFERENCE NO. :
0171682
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
T56 BMJ D1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06370

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R21/22;R36/37/38

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

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NL3528000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Indoleacetic acid
  • Ethanol
  • 1-CARBETHOXYIMIDAZOLE
  • (1H-Indol-3-yl)-oxo-acetic acid ethyl ester
  • EDA
  • Indole
  • ethyl chloroacetate
  • ethyl 4,4-dimethoxybutyrate
  • Phenylhydrazine hydrochloride

DownStream

  • 2-(1H-Indol-3-yl)acetohydrazide
  • (2-BROMO-1H-INDOL-3-YL)ACETIC ACID ETHYL ESTER
  • 1-Methyl-3-Indoleacetic Acid
  • Indole-3-acetamide
  • 3-Indoleacetic acid
  • Tryptophol
  • 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
  • 2-[1-(4-FLUOROBENZYL)-1H-INDOL-3-YL]ACETICACID
  • Indole-3-acetaldehyde
  • 2-(1-Methyl-1H-indol-3-yl)-ethanol

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Generation of electronically excited triplet species at the cellular level: a potential source of genotoxicity.

Toxicol. Lett. 67(1-3) , 17-28, (1993)

Selected enzymatic systems can efficiently produce a product in the electronically excited triplet state. Earlier, only the formation of electronically excited singlet species was known. The formation...

Mutants of Nicotiana plumbaginifolia with specific resistance to auxin.

Mol. Gen. Genet. 228(3) , 361-71, (1991)

We have isolated nine independent auxin-resistant mutants of Nicotiana plumbaginifolia by culturing M2 seedlings in the presence of indole-3-acetic acid ethyl ester or 1-naphthaleneacetic acid at conc...


More Articles

Related Compounds

  • Methyl 2-(1H-indol-3-yl)acetate
  • methylsulfinylmethyl 2-(1H-indol-3-yl)acetate
  • ethyl (2-(1H-indol-3-yl)-2-oxoacetyl)-L-methioninate
  • ethyl 2-(1H-indol-3-yl)-propionate
  • ethyl-[2-(1H-indol-3-yl)ethyl]azanium,chloride
  • ethyl 2-((1H-indol-3-yl)methyl)-3-oxobutanoate