1-Chloro-3-iodobenzene

HCID 12269
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
625-99-0
Standard SMILES
Clc1cccc(I)c1
InChIKey
JMLWXCJXOYDXRN-UHFFFAOYSA-N
Molecular formula
C6H4ClI
Average molar mass
238.45 g/mol
Monoisotopic mass
237.90462581

Names & identifiers

Preferred name
1-Chloro-3-iodobenzene
IUPAC
1-chloro-3-iodobenzene
English name
1-Chloro-3-iodobenzene
Molecular formula
C6H4ClI
Molecular weight
238.45

Names & synonyms

1-Chloro-3-iodobenzeneBenzene, 1-chloro-3-iodo-EINECS 210-920-6NSC 32861AI3-22030DTXSID4060810RefChem:75389DTXCID2043379210-920-6InChI=1/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4JMLWXCJXOYDXRN-UHFFFAOYSA-N625-99-0
Show more names
oroiodobenzene3-chloroiodineChloriodobenzeneM-IODOCHLOROBENZENE
3-CHLOROIODOBENZENEm-Chloroiodobenzene3-Iodochlorobenzene3-Chloro-1-iodobenzenem-Chlorophenyl iodide1-Chloro-3-iodo-benzeneMFCD00001046metachloroiodobenzene

Database identifiers

CAS
625-99-0
PubChem CID
12269
DTXSID
DTXSID4060810
EC Number
210-920-6
Nikkaji
J95.412H

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
95 · 95-96 °C
Boiling point
103 · 103-104 °C15 mm Hg(lit.)
Density
1.926 g/mL · 1.926 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.631(lit.)
Flash point
215 °F · 215 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

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 11 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29039990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-chloro-3-iodo-: ACTIVE
Applications · 3 items

Usessuzuki reaction

Uses1-Chloro-3-iodobenzene is used as a pharmaceutical intermediate.

General DescriptionThe multiple-quantum proton NMR spectra of 3-chloroiodobenzene was studied.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

83 records
New reaction record

Compound notes

Loading…