Phthalonitrile

Modify Date: 2024-01-02 13:08:55

Phthalonitrile Structure
Phthalonitrile structure
 Common Name Phthalonitrile
CAS Number 91-15-6 Molecular Weight 128.131
Density 1.2±0.1 g/cm3 Boiling Point 304.6±25.0 °C at 760 mmHg
Molecular Formula C8H4N2 Melting Point 137-139 °C(lit.)
MSDS Chinese USA Flash Point 153.3±17.1 °C
Symbol GHS06
GHS06		 Signal Word Danger

 Names

Name Phthalonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 304.6±25.0 °C at 760 mmHg
Melting Point 137-139 °C(lit.)
Molecular Formula C8H4N2
Molecular Weight 128.131
Flash Point 153.3±17.1 °C
Exact Mass 128.037445
PSA 47.58000
LogP 1.07
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.566
Stability Stable. Incompatible with strong bases, strong acids, strong oxidizing agents, strong reducing agents.
Water Solubility 0.56 g/L (25 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI8575000
CHEMICAL NAME :
Phthalonitrile
CAS REGISTRY NUMBER :
91-15-6
LAST UPDATED :
199710
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C8-H4-N2
MOLECULAR WEIGHT :
128.14
WISWESSER LINE NOTATION :
NCR BCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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 :
62 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KJMDA6 Kobe Journal of the Medical Sciences. (Kobe Univ. School of Medicine, Kusunoki-cho, Chuo-ku, Kobe 650, Japan) V.1- 1951- Volume(issue)/page/year: 11,63,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7425 mg/kg/66W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia
REFERENCE :
VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
473 mg/kg/21W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia
REFERENCE :
VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21 gm/kg/65W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia
REFERENCE :
VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
813 mg/kg/46W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Reproductive - Tumorigenic effects - ovarian tumors
REFERENCE :
VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 gm/kg/63W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application
REFERENCE :
VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H300
Precautionary Statements P264-P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T:Toxic;
Risk Phrases R23/24/25
Safety Phrases S36/37/39-S45-S28A
RIDADR UN 3439 6.1/PG 2
WGK Germany 1
RTECS TI8575000
Packaging Group II
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

 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%

 Articles5

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 Synonyms

o-Dicyanobenzene
EINECS 202-044-8
Phthalodinitril
1,2-DICYANOBENZENE
o-pdn[qr]
Phthalonitrile
dicyanobenzene
PHTHALICNITRILE
o-PDN
o-phthalonitrile
Ftalodinitril
o-Cyanobenzonitrile
o-Benzenedinitrile
o-Phthalodinitrile
Ftalonitril
phthalodinitrile
1,2-Benzenedicarbonitrile
1,2-Benzodinitrile
o-Benzenedicarbonitrile
MFCD00001771
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