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Nitroxynil

Nitroxynil structure

CAS No:
1689-89-0
Formula:
C7H3IN2O3
Chemical Name:
Nitroxynil
Synonyms:
Benzonitrile,4-hydroxy-3-iodo-5-nitro-;4-Hydroxy-3-iodo-5-nitrobenzonitrile;M and B 10755;Nitroxynil;Nitroxinil;2-Iodo-4-cyano-6-nitrophenol;4-Cyano-2-iodo-6-nitrophenol;3-Iodo-5-nitro-4-hydroxybenzonitrile;3-Nitro-5-iodo-4-hydroxybenzonitrile;3-Nitro-4-hydroxy-5-iodobenzonitrile
Categories:
Analytical Chemistry > Standard

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Description

Yellow Solid

Proposed anthelmintic for fasciola and liver fluke infestations.

Nitroxynil Basic Attributes

Molecular Weight：

290.01

Exact Mass：

290.01

EC Number：

216-884-8

UNII：

9L0EXQ7125

DSSTox ID：

DTXSID9075117

HScode：

29269090

Characteristics

PSA：

89.8

XLogP3：

2.3

Appearance：

white to yellow powder

Density：

2.1385 (estimate)

Melting Point：

137.5 °C

Boiling Point：

280.1±40.0 °C(Predicted)

Flash Point：

123.2±27.3 °C

Refractive Index：

1.736

Storage Conditions：

0-6°C

Vapor Pressure：

0.00227mmHg at 25°C

Safety Information

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

25-36/37/38-43

safety instructions：

26-36/37-45

RTECS Number：

DI4600000

Marks：

Precautionary statement(s)：

P261-P273-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H317-H319-H335-H400

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 95 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents used to treat cestode, trematode, or other flatworm infestations in man or animals. (See all compounds classified as Antiplatyhelmintic Agents.)

MeSH Entry Terms：

Nitroxinil

Nitroxynil Use and Manufacturing

Methods of Manufacturing

Under a nitrogen atmosphere, copper acetate (20 mol%, 4.6 mg) and a magnet were added to a previously baked 10 mL glass pressure tube. Then, N, N-dimethylformamide (0.5 mL), 4-iodo-3-trifluoromethylaniline (0.125 mmol, 1.0 equiv., 35.9 mg) was added. The pressure tube was sealed and the air inside the tube was removed and filled with carbon dioxide (5.0 equiv., 15 mL), ammonia (5.0 equiv., 15 mL) and hydrogen (5.0 equiv., 15 mL). After adding, place the pressure tube of the glass in advance to warm up In a 160C metal module, stir for 10 hours. After the reaction was completed, the reaction system was cooled to room temperature and pressure was slowly released. Using dodecane as an internal standard, the yield of the gas chromatography was determined to be 74%.

Uses

categorized under the category of Anthelmintic / Anti parasitic ( for veterinary use)

Computed Properties

Molecular Weight:290.01
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:289.91884
Monoisotopic Mass:289.91884
Topological Polar Surface Area:89.8
Heavy Atom Count:13
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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