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5-Nitrofurfural oxime

5-Nitrofurfural oxime structure

CAS No:
555-15-7
Formula:
C5H4N2O4
Chemical Name:
5-Nitrofurfural oxime
Synonyms:
2-Furancarboxaldehyde,5-nitro-,oxime;2-Furaldehyde,5-nitro-,oxime;5-Nitro-2-furaldehyde oxime;5-Nitro-2-furaldoxime;5-Nitrofurfural oxime;5-Nitrofurfuraldehyde oxime;5-Nitro-2-furancarboxaldehyde oxime
Categories:
Chemical Reagents > Organic Reagents

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Description

YELLOW TO BROWN-YELLOW POWDER

Nifuroxime is a C-nitro compound, a member of furans and an aldoxime.

5-Nitrofurfural oxime Basic Attributes

Molecular Weight：

156.1

Exact Mass：

156.10

BRN：

83037

EC Number：

209-082-4

DSSTox ID：

DTXSID8046402

HScode：

2932190090

Characteristics

PSA：

91.55000

XLogP3：

1.51910

Density：

1.58g/cm3

Melting Point：

121 °C

Boiling Point：

274.8ºC at 760mmHg

Flash Point：

120ºC

Refractive Index：

1.4800 (estimate)

Water Solubility：

0.01 M

Toxicity：

Abdominal cavity-mouse LD50: 100 mg/kg

Flammability characteristics：

Open flame is flammable; high heat decomposes toxic nitrogen oxide gas

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

safety instructions：

22-36/37

RTECS Number：

LT7525000

Storage features：

Storehouse ventilated at low temperature and dry; stored separately from oxidants, alkalis, food additives

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

nifuroxim

Computed Properties

Molecular Weight:156.10
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:156.01710661
Monoisotopic Mass:156.01710661
Topological Polar Surface Area:91.6
Heavy Atom Count:11
Complexity:176
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes