CAS 1121-86-4 1-Fluoro-3-iodobenzene (HCID 70725)

Names & identifiers

Preferred name: 1-Fluoro-3-iodobenzene
IUPAC: 1-fluoro-3-iodobenzene
English name: 1-Fluoro-3-iodobenzene
Molecular formula: C6H4FI
Molecular weight: 222

Names & synonyms

1-Fluoro-3-iodobenzene1121-86-4m-FluoroiodobenzeneBenzene, 1-fluoro-3-iodo-m-FluorobenzeneEINECS 214-339-9NSC 10279DTXSID1061524RefChem:75804DTXCID3033278InChI=1/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4VSKSBSORLCDRHS-UHFFFAOYSA-N

Show more names

3-Fluoriodobenzol3- Fluoriodobenzene1-fluoro-3-iodo-benzen1-Iodo-3-fluorobenzene

3-Fluoroiodobenzene3-Iodofluorobenzenem-IodofluorobenzeneMFCD000010441-Fluoro-3-iodo-benzene3-FLUORO-1-IODOBENZENE3-fluoro iodobenzene3-iodo-fluorobenzene

Database identifiers

CAS: 1121-86-4
PubChem CID: 70725
DTXSID: DTXSID1061524
UNII: H7886RB2KY
EC Number: 214-339-9
Nikkaji: J102.838C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDielectric constant

Physicochemical properties

Melting point: -42 °C · -42°C
Boiling point: 77 · 77-78 °C/19 mmHg (lit.)
Density: 1.89 g/mL · 1.89 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.584(lit.)
Flash point: 153 °F · 153 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.89 · 1.890
color: Clear yellow or pink
Sensitive: Light Sensitive
BRN: 2039305 · 2039305
InChI: 1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: VSKSBSORLCDRHS-UHFFFAOYSA-N
SMILES: Fc1cccc(I)c1
CAS DataBase Reference: 1121 · 1121-86-4(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Benzene, 1-fluoro-3-iodo-(1121-86-4)
EPA Substance Registry System: m-Fluoroiodobenzene (1121-86-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications

Uses3-Fluoroiodobenzene was used to prepare methyl 4-iodobenzo[b]thiophene-2-carboxylate, key intermediate for the synthesis of 4-substituted benzo[b]thiophene-2-carboxamidines.

General Description3-Fluoroiodobenzene participates in palladium-catalyzed hydroarylation of arylpropiolamides.

Upstream & downstream products

Upstream raw materials

Downstream products

2-Bromo-3-fluorobenzoic acid 3-Fluorobenzonitrile 2-BROMO-1-FLUORO-3-IODOBENZENE 3-Fluorophenylacetone 3-FLUOROTHIOANISOLE Ethyl 2,2-difluoro-2-(3-fluorophenyl)acetate 3-FLUOROPHENYLACETYLENE 2-Bromo-6-fluorobenzoic acid 5-(3-FLUORO-PHENYL)-FURAN-2-CARBALDEHYDE 1-FLUORO-3-(2-PHENYLETHYNYL)BENZENE

Suppliers100 total

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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]

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

Related reactions

52 records

New reaction record

HRID 6790As reactantuspto-grants-2006_08

HRID 15231As reactantuspto-grants-2010_06

HRID 40543As reactantuspto-grants-2013_09

HRID 80607As reactantuspto-grants-2014_09

HRID 83497As reactantuspto-grants-2014_09

HRID 115176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135766As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 138969As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

Loading…

Basic information