4-Nitrobenzaldoxime

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Names

[ Name ]:
4-Nitrobenzaldoxime

[Synonym ]:
P-NITROBENZALDOXIME
4-NITROBENZALDEHYDE OXIME
4-Nitrobenzaldoxime
4-nitro-benzaldehydoxime
EINECS 214-445-5
p-nitro-benzaldehydoxime
4-NO2PhCH=NOH
p-nitrobenzaldehydeoxime
p-nitrophenyl aldoxime
MFCD00007377

Chemical & Physical Properties

[ Density]:
1.33 g/cm3

[ Boiling Point ]:
304.2ºC at 760 mmHg

[ Melting Point ]:
126-131ºC

[ Molecular Formula ]:
C₇H₆N₂O₃

[ Molecular Weight ]:
166.13400

[ Flash Point ]:
137.8ºC

[ Exact Mass ]:
166.03800

[ PSA ]:
78.41000

[ LogP ]:
1.92610

[ Vapour Pressure ]:
0.00039mmHg at 25°C

[ Index of Refraction ]:
1.589

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CU7450000

CHEMICAL NAME :: Benzaldehyde, p-nitro-, oxime

CAS REGISTRY NUMBER :: 1129-37-9

LAST UPDATED :: 199012

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H6-N2-O3

MOLECULAR WEIGHT :: 166.15

WISWESSER LINE NOTATION :: WNR D1UNQ

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 :: 180 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Blood - normocytic anemia

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 24(9),15,1959

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7100 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Blood - normocytic anemia

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 24(9),15,1959

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Blood - normocytic anemia

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 24(9),15,1959

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R20;R25;R36/37/38

[ Safety Phrases ]:
S22-S26-S36/37/39-S45

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
3

[ RTECS ]:
CU7450000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2928000090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Nitrobenzaldehyde
1-((4-NITROPHENYL))METHANAMINE
N-((tert-butyldimethylsilyl)oxy)-4-methyl-N-(4-nitrobenzyl)benzenesulfonamide
1,3-Dioxolane,2-(4-nitrophenyl)-
Nitroethane
(4-Nitrophenyl)methanol
1-Nitropropane
Piperidine
(E)-4-nitrobenzaldehydeO-(2,4-dinitrophenyl) oxime

DownStream

4-Aminobenzylamine
4-(Benzyloxy)benzonitrile
4-Nitroaniline
2,4-dinitro-N-[(4-nitrophenyl)methylideneamino]aniline
4-Nitrophenyl isocyanide
(E)-O-(1,1,1-trifluoroethyl)-4-nitrobenzaldehyde oxime
4-Hydroxybenzonitrile
4-Aminobenzonitrile
4-Nitrobenzonitrile
4-Nitrobenzamide

Customs

[ HS Code ]: 2928000090

[ Summary ]:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

Articles

C.B. Reese et al.

Tetrahedron Lett. , 2727, (1978)

Tetrahedron Lett. , 4443, (1978)