Benzene, 1-chloro-4-fluoro-

HCID 9604CAS 352-33-0

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(Cl)cc1
InChIKey: RJCGZNCCVKIBHO-UHFFFAOYSA-N
Molecular formula: C6H4ClF
Average molar mass: 130.55 g/mol
Monoisotopic mass: 129.99855603

Names & identifiers

Preferred name: Benzene, 1-chloro-4-fluoro-
IUPAC: 1-chloro-4-fluorobenzene
English name: 1-Chloro-4-fluorobenzene
Molecular formula: C6H4ClF
Molecular weight: 130.55

Names & synonyms

1-Chloro-4-fluorobenzene352-33-0p-Chlorofluorobenzenep-FluorochlorobenzeneBenzene, 1-chloro-4-fluoro-1-Fluoro-4-chlorobenzeneEINECS 206-521-1NSC 10272DTXSID2059853pChlorofluorobenzenepFluorochlorobenzene1Fluoro4chlorobenzene

Show more names

1-Chloro-4-flu4-ChlorofluorobenzenFluorine chlorobenzene4-Fluorophenyl chloride1,4-Fluorochlorobenzene1-Chloro-4-flurobenzene

Benzene, 1chloro4fluoroRefChem:562455DTXCID1038959206-521-1InChI=1/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-44-Chlorofluorobenzene4-Fluorochlorobenzene1-Chloro-4-fluoro-benzene

Database identifiers

CAS: 352-33-0、55256-17-2
PubChem CID: 9604
DTXSID: DTXSID2059853
UNII: 4MH2SJ5JJR
EC Number: 206-521-1
Nikkaji: J95.441A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 66.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure8.19 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -21.5 °C · -21.5 °C
Boiling point: 129 · 129-130 °C(lit.)
Density: 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.495(lit.)
Flash point: 85 °F · 85 °F
storage temp.: Flammables area
solubility: Difficult to mix.
form: Liquid
Specific Gravity: 1.226 · 1.226
color: Clear colorless to slightly yellow
BRN: 1904542 · 1904542
InChI: InChI=1S/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: RJCGZNCCVKIBHO-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(F)C=C1
CAS DataBase Reference: 352 · 352-33-0(CAS DataBase Reference)
FDA UNII: 4 MH2SJ5JJR · 4MH2SJ5JJR
NIST Chemistry Reference: 1 · Benzene, 1-chloro-4-fluoro-(352-33-0)
EPA Substance Registry System: 1 · Benzene, 1-chloro-4-fluoro- (352-33-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 302 · H302-H226
Precautionary statements: 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P312+P330-P403+P235
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F,T
Risk Statements: 10 · 10-36/37/38-39/23/24/25-23/24/25-11
Safety Statements: 16 · 16-26-36-37/39-45-36/37-7
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye 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 (94.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS] See p-Bromofluorobenzene.

Hazard Classes and CategoriesFlam. Liq. 3 (94.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 10-36/37/38-39/23/24/25-23/24/25-11
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F,T
hazard_note: Flammable/Irritant
safety_code: 16-26-36-37/39-45-36/37-7
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-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: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P312+P330-P403+P235

Chemistry & industry

Uses & manufacturing

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

Applications · 1 item

Uses1-Chloro-4-fluorobenzeneis used as a primary and secondary intermediates, organic synthesis. And it is also used to prepare (4'-fluoro-biphenyl-4-yl)-methyl ether by using reagents NaH, Ni (OAc)2, 2,2 '-bipyridyl, KI and solvents benzene, tetrahydrofuran at temperature of 63°C.