2-Fluoroanisole (HCID 67576)

Names & identifiers

Preferred name: 2-Fluoroanisole
IUPAC: 1-fluoro-2-methoxybenzene
English name: 2-Fluoroanisole
Molecular formula: C7H7FO
Molecular weight: 126.13

Names & synonyms

2-Fluoroanisole321-28-8EINECS 206-284-4DTXSID50185891NSC 10339RefChem:472609DTXCID90108382206-284-41-Fluoro-2-methoxybenzeneo-FluoroanisoleBenzene, 1-fluoro-2-methoxy-1-fluoro-2-methoxy-benzene

Show more names

uoroanisoL2-Fluoranisol2- fluoroetherAKOS BBS-00004271

ortho-fluoroanisoleAnisole, o-fluoro-MFCD00000316KNH8R5Z674NSC-10339fluoroanisolefluoro-anisole2-fluoroanisol

Database identifiers

CAS: 321-28-8
PubChem CID: 67576
DTXSID: DTXSID50185891
UNII: KNH8R5Z674
EC Number: 206-284-4
Nikkaji: J132.825E

Properties

Computed structural properties

XLogP: 2.1
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: 85

Experimental & physicochemical properties

Kovats Retention Index919.7；934

Physicochemical properties

Melting point: 39 °C · −39 °C(lit.)
Boiling point: 154 · 154-155 °C(lit.)
Density: 1.124 g/mL · 1.124 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.494(lit.)
Flash point: 140 °F · 140 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Soluble), Methanol (Sparingly)
form: clear liquid
Specific Gravity: 1.124 · 1.124
color: Colorless to Light yellow to Light orange
BRN: 1859755 · 1859755
InChI: InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey: JIXDOBAQOWOUPA-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC=C1OC
CAS DataBase Reference: 321 · 321-28-8(CAS DataBase Reference)
FDA UNII: 8 R5Z674 · KNH8R5Z674
NIST Chemistry Reference: 1 · Benzene, 1-fluoro-2-methoxy-(321-28-8)
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,Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-36/37/39-27-26
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable
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 · 5 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 48 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29093090
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: F,Xi
hazard_note: Flammable
safety_code: 16-36/37/39-27-26
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

Applications

Uses2-Fluoroanisole is a useful synthetic intermediate with antifungal activity.

Upstream & downstream products

Upstream raw materials

Downstream products

3-Fluoro-4-methoxybenzoic acid 3-Fluoro-DL-tyrosine 3-Fluoro-4-hydroxybenzoic acid 4-Chloro-2-fluoroanisole Benzonitrile, 2-fluoro-3-methoxy- (9CI)3-Fluoro-4-methoxyphenylacetic acid 3-Fluoro-2-methoxybenzaldehyde 1-Pentanone, 1-(3-fluoro-4-hydroxyphenyl)-4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione 3Fluoro-4methoxyvalerophenone

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]

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

科瑞迪化学400-821-5857 021-64326257 · [email protected]

上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

Related reactions

102 records

New reaction record

HRID 7887As reactantuspto-grants-2006_08

HRID 36820As reactantuspto-grants-1995_05

HRID 96225As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102221As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 140724As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 154886As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 215555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 229248As reactantuspto-grants-2009_07

Linked notes

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Basic information