CAS 623-26-7|Terephthalonitrile

Introduction：Basic information about CAS 623-26-7|Terephthalonitrile, 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. Articles7
7. Synonyms

Common Name	Terephthalonitrile
CAS Number	623-26-7	Molecular Weight	128.131
Density	1.2±0.1 g/cm3	Boiling Point	289.6±23.0 °C at 760 mmHg
Molecular Formula	C₈H₄N₂	Melting Point	221-225 °C(lit.)
MSDS	ChineseUSA	Flash Point	142.8±16.5 °C

Names

Name	1,4-Dicyanobenzene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	289.6±23.0 °C at 760 mmHg
Melting Point	221-225 °C(lit.)
Molecular Formula	C₈H₄N₂
Molecular Weight	128.131
Flash Point	142.8±16.5 °C
Exact Mass	128.037445
PSA	47.58000
LogP	0.97
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.566
InChIKey	BHXFKXOIODIUJO-UHFFFAOYSA-N
SMILES	N#Cc1ccc(C#N)cc1
Stability	Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Water Solubility	0.08 g/L (23 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ1925000

CHEMICAL NAME :: 1,4-Benzenedicarbonitrile

CAS REGISTRY NUMBER :: 623-26-7

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C8-H4-N2

MOLECULAR WEIGHT :: 128.14

WISWESSER LINE NOTATION :: NCR DCN

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: -,905,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >6400 mg/kg

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

REFERENCE :: ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4004 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - muscle weakness Lungs, Thorax, or Respiration - acute pulmonary edema

REFERENCE :: APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 48,23,1990

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >300 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 699 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: INHEAO Industrial Health. (National Institute of Industrial Health, 6-21-1 Nagao, Tama-ku, Kawasaki, 213 Japan) V.1- 1963- Volume(issue)/page/year: 4,11,1966

Safety Information

Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S24/25
RIDADR	3439
WGK Germany	2
RTECS	CZ1925000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	29269095

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%

Articles7

Mechanism of back electron transfer in an intermolecular photoinduced electron transfer reaction: solvent as a charge mediator.

ChemPhysChem 15(14) , 2945-50, (2014)

Back electron transfer (BET) is one of the important processes that govern the decay of generated ion pairs in intermolecular photoinduced electron transfer reactions. Unfortunately, a detailed mechan...

A study of a moleculartweezer host-guest system by a combination of quantum-chemical calculations and solid-state NMR experiments.

Solid State Nucl. Magn. Reson. 22(2-3) , 128-53, (2002)

A study of a host-guest system consisting of a naphthalene-spaced tweezer with a 1,4 dicyanobenzene guest molecule is presented. The complex is investigated using a combination of quantum-chemical cal...

Thermal degradation of polyester coating powders: 1,4-dicyanobenzene as an occupational marker compound.

Analyst 114(9) , 1009-12, (1989)

A method for the determination of emissions in workroom air as a result of the thermal degradation of polyester coating powders is described. The method is based on the determination of certain marker...

Synonyms

1,4-Benzenedicarbonitrile

EINECS 210-783-2

MFCD00001810

p-dicyanobenzene

benzene-1,4-dicarbonitrile

1,4-Dicyanobenzene

Benzol-1,4-dicarbonitril

Terephthalonitrile

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