Benzene, 1-bromo-3-iodo-

HCID 11561CAS 591-18-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1cccc(I)c1
InChIKey
CTPUUDQIXKUAMO-UHFFFAOYSA-N
Molecular formula
C6H4BrI
Average molar mass
282.9 g/mol
Monoisotopic mass
281.85411023

Names & identifiers

Preferred name
Benzene, 1-bromo-3-iodo-
IUPAC
1-bromo-3-iodobenzene
English name
1-Bromo-3-iodobenzene
Molecular formula
C6H4BrI
Molecular weight
282.9

Names & synonyms

1-BROMO-3-IODOBENZENE591-18-4Benzene, 1-bromo-3-iodo-EINECS 209-703-9DTXSID9060447RefChem:562414DTXCID0042539209-703-93-Bromoiodobenzenem-Bromoiodobenzene3-bromo-1-iodobenzeneMFCD00001043
Show more names
3-bromoiodbenzenem-Iodobromobenzene3- Bromiodobenzene1-Brom-3-iodbenzol3-Bromophenyl iodide1-Bromo-3-iodobezene
1-iodo-3-bromobenzene3-iodobromobenzene3-bromo iodobenzene3-iodo-bromobenzeneMQH7NC2UMH3-Bromo-1-iodo-benzene3-Bromoiodobenzene, 98%PB47618

Database identifiers

CAS
591-18-4
PubChem CID
11561
DTXSID
DTXSID9060447
UNII
MQH7NC2UMH
EC Number
209-703-9
Nikkaji
J94.974D

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Melting point
9.3 · −9.3-−9 °C(lit.)
Boiling point
120 °C18 · 120 °C18 mm Hg(lit.)
Density
2.219 g/mL · 2.219 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.66(lit.)
Flash point
230 °F · >230 °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 52 reports by companies from 9 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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-bromo-3-iodo-: ACTIVE
Applications · 1 item

Uses1-Bromo-3-iodobenzene is used in the preparation of 3'-bromo-2,3,4,5,6-pentaethyl-biphenyl by reacting with hex-3-yne. It is also used to prepare 1-(3'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene and 1-(3'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene. Further, it is involved in the preparation of oxygen-tethered 1,6-enynes.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

151 records
New reaction record

Linked notes

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Benzene, 1-bromo-3-iodo- (HCID 11561)｜Huagongshe