CAS 109-77-3|Malononitrile

Introduction：Basic information about CAS 109-77-3|Malononitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles39
7. Synonyms

Common Name	Malononitrile
CAS Number	109-77-3	Molecular Weight	66.061
Density	1.0±0.1 g/cm3	Boiling Point	218.5±0.0 °C at 760 mmHg
Molecular Formula	C₃H₂N₂	Melting Point	30-32 °C(lit.)
MSDS	ChineseUSA	Flash Point	112.2±0.0 °C
Symbol	GHS06, GHS09	Signal Word	Danger

Names

Name	malononitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	218.5±0.0 °C at 760 mmHg
Melting Point	30-32 °C(lit.)
Molecular Formula	C₃H₂N₂
Molecular Weight	66.061
Flash Point	112.2±0.0 °C
Exact Mass	66.021797
PSA	47.58000
LogP	-0.50
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.402
InChIKey	CUONGYYJJVDODC-UHFFFAOYSA-N
SMILES	N#CCC#N
Water Solubility	13.3 g/100 mL (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO3150000

CHEMICAL NAME :: Malononitrile

CAS REGISTRY NUMBER :: 109-77-3

BEILSTEIN REFERENCE NO. :: 0773697

LAST UPDATED :: 199710

DATA ITEMS CITED :: 20

MOLECULAR FORMULA :: C3-H2-N2

MOLECULAR WEIGHT :: 66.07

WISWESSER LINE NOTATION :: NC1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,899,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 350 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 27,1,1976

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20550 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 27,1,1976

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 31500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 27,1,1976

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 19 mg/kg

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

REFERENCE :: KHZDAN Khigiena i Zdraveopazvane. Hygiene and Sanitation. (Hemus, Blvd. Russki 6, Sofia, Bulgaria) V.9- 1966- Volume(issue)/page/year: 9,50,1966

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 228,1315,1970

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 8 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 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#07576

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 6500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Gastrointestinal - nausea or vomiting

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 10043 ug/kg

TOXIC EFFECTS :: Blood - other changes

REFERENCE :: TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 3,64,1983

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6 mg/kg

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

REFERENCE :: CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 96,202,1927

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 28 mg/kg

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

REFERENCE :: PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,563,1979

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 21 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 27,1,1976

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 80 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 95 mg/kg

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO MALONONITRILE-air:10H TWA 3 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5636 No. of Facilities: 4 (estimated) No. of Industries: 1 No. of Occupations: 15 No. of Employees: 1233 (estimated)

Safety Information

Symbol	GHS06, GHS09
Signal Word	Danger
Hazard Statements	H301-H311-H331-H410
Precautionary Statements	P261-P273-P280-P301 + P310-P311-P501
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T:Toxic
Risk Phrases	R23/24/25;R50/53
Safety Phrases	S23-S27-S45-S60-S61
RIDADR	UN 2647 6.1/PG 2
WGK Germany	3
RTECS	OO3150000
Packaging Group	II
Hazard Class	6.1
HS Code	2926909090

Customs

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles39

Synthesis of a novel 4H-pyran analog as minor groove binder to DNA using ethidium bromide as fluorescence probe.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 152 , 165-71, (2015)

In the present work, isopropyl-6-amino-4-(3,5-bis(trifluoromethyl)phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (4H-pyran analog) has been synthesized by a three component reaction catalyzed by CsOH...

Design of donor-acceptor star-shaped oligomers for efficient solution-processible organic photovoltaics.

Faraday Discuss. 174 , 313-39, (2014)

This contribution describes recent progress in the design, synthesis and properties of solution-processible star-shaped oligomers and their application in organic photovoltaics. Even though alternativ...

A facile synthesis of new monoazo disperse dyes derived from 4-hydroxyphenylazopyrazole-5-amines: evaluation of microwave assisted dyeing behavior.

Molecules 17(12) , 13891-909, (2012)

A series of new monoazo disperse dyes containing pyrazolopyrimidine moieties was synthesized by coupling malononitrile or 3-aminocrotononitrile with 4-hydroxy- benzenediazonium chloride. Treatment of ...

Synonyms

Propanedinitrile

Dicyanomethane

Malonitrile

Malonic acid dinitrile

EINECS 203-703-2

Malononitrile

MFCD00001883

Methylene Cyanide

Methylene Dicyanide

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