1-Methyl-1H-indole-2-carboxylic acid

Names

[ Name ]:
1-Methyl-1H-indole-2-carboxylic acid

[Synonym ]:
N-methyl-1H-indole-2-carboxylic acid
N-methyl-2-indole-carboxylic acid
1H-Indole-2-carboxylic acid, 1-methyl-
1-methyl-1H-2-indolecarboxylic acid
Indole-2-carboxylic acid,1-methyl
1-methylindolecarboxylic acid
1H-INDOLE-2-CARBOXYLIC ACID,1-METHYL
MFCD00005801
1-Methyl-2-indolecarboxylic acid
1-Methylindole-2-carboxylic Acid
1-methyl-indole-2-carboxylic acid
1-Methyl-1H-indole-2-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
389.0±15.0 °C at 760 mmHg

[ Melting Point ]:
212-213 °C (dec.)(lit.)

[ Molecular Formula ]:
C₁₀H₉NO₂

[ Molecular Weight ]:
175.184

[ Flash Point ]:
189.0±20.4 °C

[ Exact Mass ]:
175.063324

[ PSA ]:
42.23000

[ LogP ]:
2.00

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

[ Index of Refraction ]:
1.612

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL6012400

CHEMICAL NAME :: 1H-Indole-2-carboxylic acid, 1-methyl-

CAS REGISTRY NUMBER :: 16136-58-6

BEILSTEIN REFERENCE NO. :: 0007274

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H9-N-O2

MOLECULAR WEIGHT :: 175.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,885,1976

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

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

[ Safety Phrases ]:
S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NL6012400

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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

Reaction of Indole Derivatives with Thionyl and Sulfuryl Chlorides. Szmuszkovicz J.

J. Org. Chem. 29(1) , 178-184, (1964)