1-Chloro-3-fluorobenzene

HCID 223087CAS 625-98-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cccc(Cl)c1
InChIKey
VZHJIJZEOCBKRA-UHFFFAOYSA-N
Molecular formula
C6H4ClF
Average molar mass
130.55 g/mol
Monoisotopic mass
129.99855603

Names & identifiers

Preferred name
1-Chloro-3-fluorobenzene
IUPAC
1-chloro-3-fluorobenzene

Names & synonyms

1-Chloro-3-fluorobenzene625-98-93-Chlorofluorobenzenem-Chlorofluorobenzene3-FluorochlorobenzeneBenzene, 1-chloro-3-fluoro-m-Fluorochlorobenzene1-Chloro-3-fluoro-benzeneMFCD000005693-fluoro-1-chlorobenzeneNSC10271m-fluoro chlorobenzene
Show more names
3-fluoro-chlorobenzeneSCHEMBL26988SCHEMBL134875SCHEMBL147682SCHEMBL159601SCHEMBL165706SCHEMBL502616SCHEMBL6201152

Database identifiers

CAS
625-98-9
PubChem CID
223087
DTXSID
DTXSID70870717
EC Number
210-919-0
Nikkaji
J95.440C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure8.19 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 50 reports by companies from 8 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]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-chloro-3-fluoro-: ACTIVE

Related reactions

64 records
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Linked notes

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