1-Iodo-2-methoxy-4-nitrobenzene

HCID 230103

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Basic information

CAS: 5458-84-4
Standard SMILES: COc1cc([N+](=O)[O-])ccc1I
InChIKey: RBFWMPRFYROKPI-UHFFFAOYSA-N
Molecular formula: C7H6INO3
Average molar mass: 279.03 g/mol
Monoisotopic mass: 278.93924105

Names & identifiers

Preferred name: 1-Iodo-2-methoxy-4-nitrobenzene
IUPAC: 1-iodo-2-methoxy-4-nitrobenzene
English name: 2-IODO-5-NITROANISOLE
Molecular formula: C7H6INO3
Molecular weight: 279.03

Names & synonyms

1-iodo-2-methoxy-4-nitrobenzeneRefChem:433240621-252-32-Iodo-5-nitroanisole5458-84-41-iodo-2-methoxy-4-nitro-benzeneMFCD00024590Benzene, 1-iodo-2-methoxy-4-nitro-STR08281STL1197924-Iodo-3-methoxynitrobenzeneNSC24644

Show more names

2-IODO-5-NITROANISOLE 97%2-iodo-5-nitrobenzyl etherI-Iodo-2-Methoxy-4-nitrobenzene2-Iodo-5-nitroanisole【4-Iodo-3-methoxynitrobenzene】4-Iodo-3-Methoxynitrobenzene[2-Iodo-5-nitroanisole]

6-iodo-3-nitroanisolA19873SCHEMBL446056SCHEMBL31075422DTXSID50282132BBL009514NSC-24644SBB064459

Database identifiers

CAS: 5458-84-4
PubChem CID: 230103
DTXSID: DTXSID50282132
EC Number: 621-252-3
Nikkaji: J2.379.516G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 128 · 128-130°C
Boiling point: 341.2 · 341.2±32.0 °C(Predicted)
Density: 1.893 · 1.893±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Appearance: White to light brown Solid
CAS DataBase Reference: 5458 · 5458-84-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29093090 · 29093090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.