3-Formyl-1H-indole-5-carbonitrile

Names

[ Name ]:
3-Formyl-1H-indole-5-carbonitrile

[Synonym ]:
MFCD01719101
1H-Indole-5-carbonitrile, 3-formyl-
5-Cyanoindole-3-carboxyaldehyde
INDOLE-5-CARBONITRILE,3-FORMYL
5-cyano-3-formylindole
3-Formyl-1 H-indole-5-carbonitrile
3-Formyl-1H-indole-5-carbonitrile
3-Formylindole-5-carbonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
429.6±25.0 °C at 760 mmHg

[ Melting Point ]:
248-253ºC

[ Molecular Formula ]:
C₁₀H₆N₂O

[ Molecular Weight ]:
170.167

[ Flash Point ]:
213.6±23.2 °C

[ Exact Mass ]:
170.048019

[ PSA ]:
56.65000

[ LogP ]:
1.90

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.674

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL5993360

CHEMICAL NAME :: Indole-5-carbonitrile, 3-formyl-

CAS REGISTRY NUMBER :: 17380-18-6

BEILSTEIN REFERENCE NO. :: 0389069

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H6-N2-O

MOLECULAR WEIGHT :: 170.18

WISWESSER LINE NOTATION :: T56 BMJ DVH GCN

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 :: 79 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#12038

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H317-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

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

[ Hazard Codes ]:
Xn: Harmful;Xi: Irritant;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-36/37

[ RIDADR ]:
NONH for all modes of transport

[ 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%