4-Nitrobenzaldoxime supplier

Name
4-Nitrobenzaldoxime
EINECS 214-445-5
CAS No. 1129-37-9
Article Data187
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 126-130 °C(lit.)
Formula C₇H₆N₂O₃
Boiling Point 304.2 °C at 760 mmHg
Molecular Weight 166.136
Flash Point 137.8 °C
Transport Information UN 2811
Appearance light yellow crystalline powder
Safety 22-26-36/37/39-45
Risk Codes 20-25-36/37/38
Molecular Structure
Hazard Symbols T
Synonyms Benzaldehyde,p-nitro-, oxime (6CI,7CI,8CI);(4-Nitrobenzylidene)hydroxylamine;4-Nitrobenzaldehyde oxime;4-Nitrobenzaldoxime;NSC 68355;p-Nitrobenzaldehydeoxime;p-Nitrobenzaldoxime;
PSA 78.41000
LogP 1.92610

4-Nitrobenzaldoxime Specification

The 4-Nitrobenzaldoxime with the CAS number 1129-37-9 is also called Benzaldehyde, 4-nitro-,oxime. The IUPAC name is (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine. Its EINECS registry number is 214-445-5. The molecular formula is C₇H₆N₂O₃. The product's category is Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes.

The properties of the chemical are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 67.41 Å²; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 41.81 cm³; (9)Molar Volume: 124 cm³; (10)Polarizability: 16.57×10^-24cm³; (11)Surface Tension: 56.9 dyne/cm; (12)Enthalpy of Vaporization: 57.5 kJ/mol; (13)Vapour Pressure: 0.00039 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation and toxic if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible) .

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(\C=N\O)cc1
(2)InChI: InChI=1/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+
(3)InChIKey: WTLPAVBACRIHHC-VMPITWQZBQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	120mg/kg (120mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat	LD50	oral	180mg/kg (180mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat	LD50	skin	7100mg/kg (7100mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.

Product Name

4-Nitrobenzaldoxime

4-Nitrobenzaldoxime Specification

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