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1-Iodo-4-nitrobenzene

1-Iodo-4-nitrobenzene structure

CAS No:
636-98-6
Formula:
C6H4INO2
Chemical Name:
1-Iodo-4-nitrobenzene
Synonyms:
Benzene,1-iodo-4-nitro-;1-Iodo-4-nitrobenzene;p-Iodonitrobenzene;p-Nitrophenyl iodide;4-Iodonitrobenzene;p-Nitroiodobenzene;4-Nitroiodobenzene;4-Nitrophenyl iodide;4-Iodo-1-nitrobenzene;4-Nitro-1-iodobenzene;NSC 9794;1-Nitro-4-iodobenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

solid

1-Iodo-4-nitrobenzene Basic Attributes

Molecular Weight：

249.01

Exact Mass：

249.01

BRN：

1100378

EC Number：

202-676-4

NSC Number：

9794

DSSTox ID：

DTXSID7060914

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

2.97

Appearance：

Brownish Powder

Density：

2.0±0.1 g/cm3

Melting Point：

174.7 °C

Boiling Point：

288 °C

Flash Point：

100 °C

Refractive Index：

1.663

Water Solubility：

H2O: insoluble

Storage Conditions：

Keep Cold

Safety Information

Packing level：

I; II; III

Hazard category：

IRRITANT, KEEP COLD, LIGHT SENSITIVE

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

20/21/22-36/37/38-36-33

safety instructions：

26-37/39-36/37/39-36

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Incompatible with strong bases, strong oxidizing agents.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

RIDADR：

UN 2811 6

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Iodo-4-nitrobenzene Use and Manufacturing

Manufacturing Info：

Benzene, 1-iodo-4-nitro-: ACTIVE

Computed Properties

Molecular Weight:249.01
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Exact Mass:248.92868
Monoisotopic Mass:248.92868
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

19169-99-4