2-Chloro-4-fluoro-1-iodobenzene (HCID 2736559)

Names & identifiers

Preferred name: 2-Chloro-4-fluoro-1-iodobenzene
IUPAC: 2-chloro-4-fluoro-1-iodobenzene
English name: 2-Chloro-4-fluoroiodobenzene
Molecular formula: C6H3ClFI
Molecular weight: 256.44

Names & synonyms

2-chloro-4-fluoro-1-iodobenzene101335-11-92-Chloro-4-fluoroiodobenzeneDTXSID20371441RefChem:468961DTXCID40322475600-191-61-Chloro-5-fluoro-2-iodobenzenebenzene, 2-chloro-4-fluoro-1-iodo-2-chloro-4-fluoro-1-iodo-benzeneMFCD000517742-Chloro-4-fluoro-iodobenzene

Show more names

colorless liquid2-Chloro-4-fluoroiodo3-Chloro-4-iodofluorobenzene4-Fluoro-2-chloroiodobenzene3-Chloro-1-fluoro-4-iodobenzene2-Chloro-4-fluoroiodobenzene98%2-Chloro-4-fluoroiodobenzene 98%Benzene,2-chloro-4-fluoro-1-iodo-

SCHEMBL2303874-fluoro-2-chloro-iodoben4-fluoro-2-chloro-iodobenzeneSCHEMBL295178372-Chloro-4-fluoro-1-iodobenzolSBB101765AKOS005259729CS-W008327

Database identifiers

CAS: 101335-11-9
PubChem CID: 2736559
DTXSID: DTXSID20371441
EC Number: 600-191-6、923-932-8

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Boiling point: 96 °C · 96 °C
Density: 2.008 · 2.008±0.06 g/cm3(Predicted)
refractive index: 1.601 · 1.601
Flash point: 96 · 96-98°C/15mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
color: Clear, colourless
Sensitive: Light Sensitive
BRN: 2435080 · 2435080
InChI: 1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey: POTCKVPDYXEGSV-UHFFFAOYSA-N
SMILES: Fc1ccc(I)c(Cl)c1
CAS DataBase Reference: 101335 · 101335-11-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H319
Precautionary statements: 264 · P264-P270-P280-P301+P310-P305+P351+P338-P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22-36
Safety Statements: 26 · 26-36/37/39-23
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2903998090 · 2903998090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (14.3%)

Safety data

wgk: WGK 3
hs_code: 2903998090
risk_code: 36/37/38-22-36
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,Xn
safety_code: 26-36/37/39-23
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
Precautionary statements: P264-P270-P280-P301+P310-P305+P351+P338-P337+P313

Chemistry & industry

Applications · 1 item

Uses2-Chloro-4-fluoroiodobenzene is a polyhalogenated benzene derivative containing reactive substituents such as fluorine, bromine and iodine atoms in its structure. It can be used as a raw material for the preparation of organic synthesis for the preparation of other organic heterocyclic compounds. It can also be used as a key intermediate component in the manufacture of pharmaceuticals.