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

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Names

[ CAS No. ]:
17380-18-6

[ 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

  • 5-Cyanoindole
  • N,N-Dimethylformamide
  • 5-(Trifluoromethyl)-1H-indole

DownStream

  • 1-BOC-5-CYANO-3-FORMYLINDOLE
  • 3-(2-nitroethenyl)-1H-indole-5-carbonitrile
  • 3-formyl-1-tosyl-1H-indole-5-carbonitrile

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%

Related Compounds

  • 3-Formyl-1H-indole-5-carboxylic acid
  • 3-formyl-1-tosyl-1H-indole-5-carbonitrile
  • 3-Formyl-2-(2-methyl-2-propanyl)-1H-indole-5-carbonitrile
  • 1H-Indole-5-carbonitrile, 3-formyl-1-methyl
  • Methyl 3-formyl-1H-indole-5-carboxylate
  • Benzyl 3-formyl-1H-indole-5-carboxylate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
  • 9-Decenoic acid, 2-(2-pyrrolidinylidene)-, ethyl ester
  • 7-chloro-2,3-dihydro-8-nitro-4(1H)-quinolinone
  • N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-3,4,5-trimethoxybenzamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Ethyl 2-amino-2-(3,4-dichlorophenyl)acetate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol