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17380-18-6

17380-18-6 structure
17380-18-6 structure
  • Name: 3-Formyl-1H-indole-5-carbonitrile
  • Chemical Name: 3-formyl-1H-indole-5-carbonitrile
  • CAS Number: 17380-18-6
  • Molecular Formula: C10H6N2O
  • Molecular Weight: 170.167
  • Create Date: 2018-07-08 19:33:38
  • Modify Date: 2024-01-08 11:02:05

Name 3-formyl-1H-indole-5-carbonitrile
Synonyms 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
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
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 3-Formyl-1H-indole-5-carbonitrile
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H312:Harmful in contact with skin
H315:Causes skin irritation
H317:May cause an allergic skin reaction
H319:Causes serious eye irritation
H332:Harmful if inhaled
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:3-Formyl-1H-indole-5-carbonitrile
CAS number:17380-18-6

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C10H6N2O
Molecular weight: 170.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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
Symbol GHS07
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

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17380-18-6 structure

17380-18-6

Literature: Pfizer Inc. Patent: US6180627 B2, 2001 ; US 6180627 B1

~97%

17380-18-6 structure

17380-18-6

Literature: Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J. Organic Letters, 2013 , vol. 15, # 17 p. 4330 - 4333

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17380-18-6 structure

17380-18-6

Literature: US2003/73849 A1, ; US 20030073849 A1
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%