5-Aziridino-2,4-dinitrobenzamide supplier

Name
5-Aziridino-2,4-dinitrobenzamide
EINECS
CAS No. 21919-05-1
Density 1.671 g/cm³
Solubility
Melting Point 173 °C
Formula C₉H₈N₄O₅
Boiling Point 427.2 °C at 760 mmHg
Molecular Weight 252.186
Flash Point 212.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dinitro-5-ethyleneiminobenzamide;2,4-Dinitroethyleneiminobenzamide;5-(1-Aziridinyl)-2,4-dinitrobenzamide;5-Aziridino-2,4-dinitrobenzamide;5-Aziridinyl-2,4-dinitrobenzamide;CB 1954;NSC 115829;Tretazicar;benzamide, 5-(1-aziridinyl)-2,4-dinitro-;2, 4-Dinitro-5-ethyleneiminobenzamide;2, 4-Dinitroethyleneiminobenzamide;5-Aziridino-2,4-dinitrobenzamide;
PSA 137.74000
LogP 2.23360

5-Aziridino-2,4-dinitrobenzamide Specification

The 5-Aziridino-2,4-dinitrobenzamide, with the CAS registry number 21919-05-1, has the systematic name of 5-(aziridin-1-yl)-2,4-dinitrobenzamide. It is a kind of organics, and should be stored at 2-8°C. And the molecular formula of the chemical is C₉H₈N₄O₅.

The characteristics of 5-Aziridino-2,4-dinitrobenzamide are as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 5.5; (6)ACD/BCF (pH 7.4): 5.5; (7)ACD/KOC (pH 5.5): 117.98; (8)ACD/KOC (pH 7.4): 117.98; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 114.96 Å²; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 59.25 cm³; (15)Molar Volume: 150.8 cm³; (16)Polarizability: 23.49×10^-24cm³; (17)Surface Tension: 92.5 dyne/cm; (18)Density: 1.671 g/cm³; (19)Flash Point: 212.2 °C; (20)Enthalpy of Vaporization: 68.22 kJ/mol; (21)Boiling Point: 427.2 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N
(2)InChI: InChI=1/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
(3)InChIKey: WOCXQMCIOTUMJV-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	176mg/kg (176mg/kg)		National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat	LD50	intraduodenal	10mg/kg (10mg/kg)	GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: HEMORRHAGE	Toxicology and Applied Pharmacology. Vol. 17, Pg. 231, 1970.
rat	LD50	intraperitoneal	29mg/kg (29mg/kg)	GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: HEMORRHAGE	Toxicology and Applied Pharmacology. Vol. 17, Pg. 231, 1970.
rat	LD50	intravenous	22mg/kg (22mg/kg)	GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: HEMORRHAGE	Toxicology and Applied Pharmacology. Vol. 17, Pg. 231, 1970.
rat	LD50	subcutaneous	22mg/kg (22mg/kg)	GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: HEMORRHAGE	Toxicology and Applied Pharmacology. Vol. 17, Pg. 231, 1970.

Product Name

5-Aziridino-2,4-dinitrobenzamide

5-Aziridino-2,4-dinitrobenzamide Specification

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