CAS 58755-70-7 4-Iodo-3-nitroanisole (HCID 292659)

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Basic information

CAS: 58755-70-7
Standard SMILES: COc1ccc(I)c([N+](=O)[O-])c1
InChIKey: JWZODIRSJJQOKY-UHFFFAOYSA-N
Molecular formula: C7H6INO3
Average molar mass: 279.03 g/mol
Monoisotopic mass: 278.93924105

Names & identifiers

Preferred name: 4-Iodo-3-nitroanisole
IUPAC: 1-iodo-4-methoxy-2-nitrobenzene
English name: 4-Iodo-3-nitroanisole
Molecular formula: C7H6INO3
Molecular weight: 279.03

Names & synonyms

4-Iodo-3-nitroanisoleDTXSID90303496RefChem:524206DTXCID60254628621-240-81-Iodo-4-methoxy-2-nitrobenzene58755-70-7MFCD000241953-Nitro-4-iodoanisol1-Iodo-4-methoxy-2-nitro-Benzene2-Iodo-5-methoxynitrobenzeneBenzene, 1-iodo-4-methoxy-2-nitro-

Show more names

NSC 1585723-Nitro-4-Iodoanisole4-Iodo-3-nitrianisole4-IODO-3-NITROANISOLE, 98+%4-Iodo-3-nitrophenyl Methyl Ether4-Iodo-3-Nitroanisole 3-Nitro-4-Iodoanisole

NSC1585724-Iodo-3-nitroanisolSCHEMBL703717SCHEMBL307778791-Iodo-4-methoxy-2-nitrobenzene #BBL000399STK802946AKOS000114279

Database identifiers

CAS: 58755-70-7
PubChem CID: 292659
DTXSID: DTXSID90303496
EC Number: 621-240-8
Nikkaji: J1.644.609B

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: 61 · 61-62°C
Boiling point: 173 °C · 173 °C(Press: 0.9 Torr)
Density: 1.893 · 1.893
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
color: Light brown to brown
Sensitive: Light Sensitive
BRN: 2365592 · 2365592
CAS DataBase Reference: 58755 · 58755-70-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.