4-Fluoroanisole (HCID 9987)

Overview

structure in first source

Names & identifiers

Preferred name: 4-Fluoroanisole
IUPAC: 1-fluoro-4-methoxybenzene
English name: 4-Fluoroanisole
Molecular formula: C7H7FO
Molecular weight: 126.13

Names & synonyms

4-Fluoroanisole459-60-91-FLUORO-4-METHOXYBENZENEp-FluoroanisoleAnisole, p-fluoro-p-Fluoromethoxybenzenep-MethoxyfluorobenzeneBenzene, 1-fluoro-4-methoxy-p-Fluorophenyl methyl etherNSC-4672F6A62M57LMDTXSID3060033

Show more names

NSC 46724-F-Anisole4-Fluoranisolp-fluoroanisol4-fluoranisole4-Floroanisole

RefChem:562489DTXCID1040455207-295-71-fluoro-4-methoxy-benzeneMFCD000003484-fluoroanisol4-METHOXYFLUOROBENZENE4-Methoxyphenyl fluoride

Database identifiers

CAS: 459-60-9
PubChem CID: 9987
DTXSID: DTXSID3060033
UNII: F6A62M57LM
EC Number: 207-295-7
Nikkaji: J95.438A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 45 °C · −45 °C(lit.)
Boiling point: 157 °C · 157 °C(lit.)
Density: 1.114 g/mL · 1.114 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.488(lit.)
Flash point: 110 °F · 110 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Liquid
Specific Gravity: 1.114 · 1.114
color: Clear colorless to light yellow
Water Solubility: Not miscible or difficult to mix in water.
BRN: 1281425 · 1281425
InChI: 1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: VIPWUFMFHBIKQI-UHFFFAOYSA-N
SMILES: COc1ccc(F)cc1
CAS DataBase Reference: 459 · 459-60-9(CAS DataBase Reference)
FDA UNII: 6 A62M57LM · F6A62M57LM
NIST Chemistry Reference: 1 · Benzene, 1-fluoro-4-methoxy-(459-60-9)
EPA Substance Registry System: p-Fluoroanisole (459-60-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 3271 · UN 3271 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29093090 · 29093090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3271 3/PG 3
hs_code: 29093090
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: F
hazard_note: Flammable
safety_code: 16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P240-P241-P280a-P303+P361+P353-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-fluoro-4-methoxy-: ACTIVE

Applications

UsesAn Acetanilide and Anisole derivative metabolite by liver.

Uses4-Fluoroanisole is a raw material for medicine and intermediate.

Upstream & downstream products

Upstream raw materials

3-Fluorobenzotrifluoride

Downstream products

5-Fluoro-2-methoxyphenylboronic acid 2-FLUORO-5-HYDROXYBENZOIC ACID 2-Bromo-4-fluoroanisole 2-FLUORO-5-METHOXYBENZOIC ACID 2-Chloro-4-fluorophenol Umbralisib 4-Fluorophenyl acetate 2-FLUORO-5-METHOXYBENZONITRILE 5-METHOXY-1H-INDAZOLE Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI)2-CHLORO-6-FLUORO-3-METHOXYBENZALDEHYDE 2-Chloro-5'-fluoro-2'-hydroxy-acetophenone

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

盐城市胜达化工有限公司0515-83072966 13016507129

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

70 records

New reaction record

HRID 97933As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 130707As reactantuspto-grants-2008_06

HRID 142032As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 145948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 171009As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 228164As reactantuspto-grants-2009_07

HRID 239620As reactantuspto-grants-2014_02

Linked notes

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Basic information