1H-Indole-3-aceticacid, 5,7-dimethyl-

Modify Date: 2025-11-19 21:05:19

1H-Indole-3-aceticacid, 5,7-dimethyl- Structure
1H-Indole-3-aceticacid, 5,7-dimethyl- structure
 Common Name 1H-Indole-3-aceticacid, 5,7-dimethyl-
CAS Number 74038-94-1 Molecular Weight 203.23700
Density 1.255g/cm3 Boiling Point 421.5ºC at 760 mmHg
Molecular Formula C12H13NO2 Melting Point N/A
MSDS N/A Flash Point 208.7ºC

 Names

Name 2-(5,7-dimethyl-1H-indol-3-yl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.255g/cm3
Boiling Point 421.5ºC at 760 mmHg
Molecular Formula C12H13NO2
Molecular Weight 203.23700
Flash Point 208.7ºC
Exact Mass 203.09500
PSA 53.09000
LogP 2.41180
Index of Refraction 1.653
InChIKey XJCBMZMISBSKFP-UHFFFAOYSA-N
SMILES Cc1cc(C)c2[nH]cc(CC(=O)O)c2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3526000
CHEMICAL NAME :
3-Indoleacetic acid, 5,7-dimethyl-
CAS REGISTRY NUMBER :
74038-94-1
BEILSTEIN REFERENCE NO. :
0396819
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
T56 BMJ D1VQ G1 I1

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 :
180 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#04140

 Synonyms

5,7-Dimethyl-3-indoleacetic acid
3-INDOLEACETIC ACID,5,7-DIMETHYL
1H-Indole-3-acetic acid,7-dimethyl
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