5-Cyanoindole

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Names

[ CAS No. ]:
15861-24-2

[ Name ]:
5-Cyanoindole

[Synonym ]:
5-Cyanoindole
1H-Indole-5-carbonitrile
EINECS 239-986-4
MFCD00005669
1H-indol-5-carbonitrile
5-Cyano-1H-indole
5-INDOLECARBONITRILE
5-Cyano indole
Indole-5-carbonitrile
5-cyano-indole
Indolecarbonitrile
5-cyanotryptamine

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
350.0±15.0 °C at 760 mmHg

[ Melting Point ]:
106-108 °C(lit.)

[ Molecular Formula ]:
C9H6N2

[ Molecular Weight ]:
142.16

[ Flash Point ]:
121.9±5.6 °C

[ Exact Mass ]:
142.053101

[ PSA ]:
39.58000

[ LogP ]:
2.36

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

[ Index of Refraction ]:
1.675

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5993120
CHEMICAL NAME :
Indole-5-carbonitrile
CAS REGISTRY NUMBER :
15861-24-2
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-N2
MOLECULAR WEIGHT :
142.17
WISWESSER LINE NOTATION :
T56 BMJ 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 :
100 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#12275

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

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

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

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36-S22

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
NL5993120

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Bromoindole
  • Sodium cyanide
  • sodium cyanide
  • 5-iodoindole
  • Copper cyanide
  • N-(1-(2-methoxyethyl)piperidin-4-yl)-4-(4-trifluoromethylphenyl)benzylamine
  • 5-Chloroindole
  • zinc,dicyanide
  • tert-Butyl 5-cyano-1H-indole-1-carboxylate
  • 4-Amino-3-iodobenzonitrile

DownStream

  • 1-Boc-5-Cyanoindole-2-boronic acid
  • (2-Methyl-1H-Indol-5-Yl)Methylamine
  • 1-METHYL-1H-INDOLE-5-CARBONITRILE
  • (5-Cyano-1H-indol-1-yl)acetic acid
  • 1H-Indole-3-aceticacid,5-cyano-(9CI)
  • 1-cyclopropylindole-5-carbonitrile
  • (1-Methyl-1H-indol-5-yl)methanamine
  • 1-(1H-indol-5-yl)methanamine
  • 3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile
  • N-[(4-AMINO-3-METHYLPHENYL)ETHYLAMINO]ETHYLSULFATEMONOHYDRATE(CD-3)

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

  • 2-(2-oxo-4-phenylquinazolin-1(2H)-yl)-N-(4-phenoxyphenyl)acetamide
  • 2-(6-chloro-2-oxo-4-phenylquinazolin-1(2H)-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
  • 2-(6-chloro-2-oxo-4-phenylquinazolin-1(2H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
  • 2-(6-chloro-2-oxo-4-phenylquinazolin-1(2H)-yl)-N-(4-isopropylphenyl)acetamide
  • 2-((4-butyl-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-ethyl-N-(m-tolyl)acetamide
  • N-(4-(benzyloxy)phenyl)-2-((4-butyl-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)acetamide
  • 2-((4-benzyl-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(p-tolyl)acetamide
  • 2-((4-benzyl-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(4-phenylbutan-2-yl)acetamide
  • N-(2-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
  • methyl 4-chloro-2-(2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamido)benzoate
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