4-Nitrophthalonitrile

Names

[ Name ]:
4-Nitrophthalonitrile

[Synonym ]:
p-nitrophthalonitrile
4-Nitrophthalonitrile
3,4-Dicyanonitrobenzene
5-Nitro-1,2-benzenedicarbonitrile
Phthalonitrile,4-nitro
5-Nitrobenzene-1,2-dicarbonitrile
1,2-Dicyano-4-nitrobenzene
4-nitrophthalodinitrile
4-Nitro-1,2-benzenedicarbonitrile
1,2-Benzenedicarbonitrile, 4-nitro-
4-nitro-1,2-dicyanobenzene
4-nitro-phthalonitrile
4-nitrophthalic acid dinitrile
EINECS 250-748-9
1,2-Benzenedicarbonitrile,4-nitro
MFCD00040301

Biological Activity

[Description]:

4-Nitrophthalonitrile is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

[Related Catalog]:

Research Areas >> Others

[In Vitro]

用作医药中间体。苯甲酰噻吩是 A1 腺苷受体激动剂活性的变构增强剂 (AE)。

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
389.9±37.0 °C at 760 mmHg

[ Melting Point ]:
142-144 °C(lit.)

[ Molecular Formula ]:
C₈H₃N₃O₂

[ Molecular Weight ]:
173.13

[ Flash Point ]:
189.6±26.5 °C

[ Exact Mass ]:
173.022522

[ PSA ]:
93.40000

[ LogP ]:
0.39

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.602

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TI8576000

CHEMICAL NAME :: Phthalonitrile, 4-nitro-

CAS REGISTRY NUMBER :: 31643-49-9

LAST UPDATED :: 199703

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C8-H3-N3-O2

MOLECULAR WEIGHT :: 173.14

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 :: 850 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(9),92,1987

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(9),92,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2550 mg/kg/30D-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Kidney, Ureter, Bladder - proteinuria Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(9),92,1987

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-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 ]:
R22

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TI8576000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%