1-Bromo-4-fluorobutane (HCID 10022)

Names & identifiers

Preferred name: 1-Bromo-4-fluorobutane
IUPAC: 1-bromo-4-fluorobutane
English name: 1-Bromo-4-fluorobutane
Molecular formula: C4H8BrF
Molecular weight: 155.01

Names & synonyms

1-Bromo-4-fluorobutaneRefChem:430646626-488-0462-72-64-Fluorobutyl bromideBUTANE, 1-BROMO-4-FLUORO-BRN 17314141-bromo-4-fluoro-butaneMFCD002095514-01-00-00263 (Beilstein Handbook Reference)fluorobutyl bromide4-bromo-1-fluorobutane

Show more names

1-bromo-4-fluoro-butan1-fluoro-4-broMobutane4-Fluoro-1-bromobutane1-Bromo-4-fluorobutane98%4-Fluorobutyl bromide, 4-Bromobutyl fluoride

SCHEMBL2817351-Bromo-4-fluorobutane, 98%SCHEMBL29114703DTXSID70196767SBB087044AKOS006223450CS-W018025DB-019081

Database identifiers

CAS: 462-72-6
PubChem CID: 10022
DTXSID: DTXSID70196767
EC Number: 626-488-0
Nikkaji: J64.611C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 23.5

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 134 · 134-135 °C (lit.)
Density: 1.444 g/mL · 1.444 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.439(lit.)
Flash point: 113 °F · 113 °F
storage temp.: Flammables area
form: Liquid
color: Colorless
Water Solubility: 25 °C · Sparingly soluble in water at 25°C 0.48 g/L.
InChI: 1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2
InChIKey: WMCUHRDQSHQNRW-UHFFFAOYSA-N
SMILES: FCCCCBr
CAS DataBase Reference: 462 · 462-72-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302+H312+H332-H315-H319-H335
Precautionary statements: 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi,T,F
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
RTECS: 6229000 · EJ6229000
Hazard Note: Irritant
HazardClass: TOXIC, FLAMMABLE
PackingGroup: III
HS Code: 2903798000 · 2903798000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 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 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: EJ6229000
ridadr: UN 1993 3/PG 3
hs_code: 2903798000
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xn,Xi,T,F
hazard_note: Irritant
safety_code: 26-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H302+H312+H332-H315-H319-H335
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: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses1-Bromo-4-fluorobutane may be used in the synthesis of the following:fluoroalkyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]alkylamines1-azido-4-fluorobutane4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane

General Description1-Bromo-4-fluorobutane is an alkyl fluorinated building block used in chemical synthesis. It participates in the synthesis of monofluoro quaternary ammonium bromide.