CAS 28987-44-2 2-Ethoxy-4-fluoronitrobenzene (HCID 12918153)

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Basic information

CAS: 28987-44-2
Standard SMILES: CCOc1cc(F)ccc1[N+](=O)[O-]
InChIKey: LEMJFSSYFHTFFP-UHFFFAOYSA-N
Molecular formula: C8H8FNO3
Average molar mass: 185.15 g/mol
Monoisotopic mass: 185.04882134

Names & identifiers

Preferred name: 2-Ethoxy-4-fluoronitrobenzene
IUPAC: 2-ethoxy-4-fluoro-1-nitrobenzene
English name: 2-Ethoxy-4-fluoro-1-nitrobenzene
Molecular formula: C8H8FNO3
Molecular weight: 185.15

Names & synonyms

2-Ethoxy-4-fluoronitrobenzeneRefChem:471606800-958-72-ethoxy-4-fluoro-1-nitrobenzene28987-44-2MFCD04115630Benzene, 2-ethoxy-4-fluoro-1-nitro-2-Ethoxy-4-fluoro-1-nitro-benzeneBenzene,2-ethoxy-4-fluoro-1-nitro-SCHEMBL310522DTXSID40512930LEMJFSSYFHTFFP-UHFFFAOYSA-N

Show more names

2-Ethoxy-4-fluoronitrobenzene98%4-fluoro-2-ethoxy-1-nitrobenzene2-Ethoxy-4-fluoronitrobenzene 98%SBB090264AKOS0062291492-(ethyloxy)-4-fluoro-1-nitrobenzeneAT23047BS-22192

Database identifiers

CAS: 28987-44-2
PubChem CID: 12918153
DTXSID: DTXSID40512930
EC Number: 800-958-7

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 35 · 35-37
storage temp.: 2 · 2-8°C
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501