Iodomesitylene

HCID 77647

Notes Reactions

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Basic information

CAS: 4028-63-1
Standard SMILES: Cc1cc(C)c(I)c(C)c1
InChIKey: GTPNXFKONRIHRW-UHFFFAOYSA-N
Molecular formula: C9H11I
Average molar mass: 246.09 g/mol
Monoisotopic mass: 245.99054835

Overview

structure in first source

Names & identifiers

Preferred name: Iodomesitylene
IUPAC: 2-iodo-1,3,5-trimethylbenzene
English name: 2,4,6-Trimethyliodobenzene
Molecular formula: C9H11I
Molecular weight: 246.09

Names & synonyms

4028-63-12-Iodomesitylene2-Iodo-1,3,5-trimethylbenzeneiodomesityleneDTXSID60193265RefChem:473787DTXCID70115756223-709-92,4,6-TrimethyliodobenzeneMesityl IodideBenzene, 2-iodo-1,3,5-trimethyl-2-iodo-1,3,5-trimethyl-benzene

Show more names

DF77SKL669Mesityliodine2-IodmesitylenMesitylIodide>2-Iodo-3-isopropyltoluene

MFCD000137071-iodo-2,4,6-trimethylbenzene2-iodo-1Maybridge1_002852Iodo-2,4,6-trimethylbenzeneHMS549J14AC1617NSC 68044

Database identifiers

CAS: 4028-63-1
PubChem CID: 77647
DTXSID: DTXSID60193265
UNII: PUU75HP3GE
EC Number: 223-709-9
Nikkaji: J1.606.877B、J217.848F

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 99.3

Physicochemical properties

Melting point: 28 · 28-32 °C
Boiling point: 250 °C · 250 °C
Density: 1.51 · 1.5100 (rough estimate)
refractive index: 1.5905 · 1.5905 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
Sensitive: Light Sensitive
BRN: 1860064 · 1860064
InChI: InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey: GTPNXFKONRIHRW-UHFFFAOYSA-N
SMILES: C1(C)=CC(C)=CC(C)=C1I
CAS DataBase Reference: 4028 · 4028-63-1(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,4,6-Trimethyliodobenzene(4028-63-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-36/37/39-24/28
HazardClass: LIGHT SENSITIVE
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (50%): 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 4 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 (50%)

Safety data

hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25-36/37/39-24/28
hazard_class: LIGHT SENSITIVE
Hazard statements: H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Usessuzuki reaction

UsesIodomesitylene can be used as a good catalyst for living radical polymerization due to its good molecular weight distribution.

Upstream & downstream products

Upstream raw materials

Iodonium, (3-chlorophenyl)(2,4,6-trimethylphenyl)-, 1,1,1-trifluoromethanesulfonate (1:1)1,1'-Biphenyl, 3,3',4,4'-tetrafluoro-2,4-Diiodo-1,3,5-trimethyl-benzene Iodonium, [4-?(ethoxycarbonyl)?phenyl]?(2,?4,?6-?trimethylphenyl)?-?, 1,?1,?1-?trifluoromethanesulf?onate (1:1)(3-BroMophenyl)(2,4,6-triMethylphenyl)iodoniuM triflate 4,4'-Diacetylbiphenyl 3,3'-Dichlorobiphenyl Diethyl biphenyl-4,4'-dicarboxylate p-Benzanisidide 1-bromo-3-(3-bromophenyl)benzene 2,4-Dimethylphenol Dimesityliodonium triflate

Downstream products

2,4,6-Trimethylbenzoic acid Iodomesitylene diacetate 3,3'-Dimethylbiphenyl

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]

合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

4 records

New reaction record

HRID 915632As reactantuspto-grants-2007_09

HRID 1217198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2217034As reactantuspto-grants-2006_09

HRID 2224722As reactantuspto-grants-2008_05

Compound notes

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