4-Iodo-m-xylene

HCID 77885
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Basic information

CAS
4214-28-2
Standard SMILES
Cc1ccc(I)c(C)c1
InChIKey
BUNKQJAMHYKQIM-UHFFFAOYSA-N
Molecular formula
C8H9I
Average molar mass
232.06 g/mol
Monoisotopic mass
231.9749

Names & identifiers

Preferred name
4-Iodo-m-xylene
IUPAC
1-iodo-2,4-dimethylbenzene
English name
4-IODO-M-XYLENE
Molecular formula
C8H9I
Molecular weight
232.06

Names & synonyms

4-Iodo-m-xylene4214-28-21-Iodo-2,4-dimethylbenzeneBenzene, 1-iodo-2,4-dimethyl-NSC 3780EINECS 224-141-44-Iodo-1,3-dimethyl benzeneDTXSID1063356RefChem:99450DTXCID6040038224-141-4BUNKQJAMHYKQIM-UHFFFAOYSA-N
Show more names
SKL14574-Iodo-3-xylene4-Iodo-m-xylene>4-Iodo-m-xylene,95%2,4-Dimethylphenyl iodide
InChI=1/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H2,4-Dimethyliodobenzene1,3-Dimethyl-4-iodobenzenem-Xylene, 4-iodo-2,4-dimethyl-1-iodobenzeneMFCD00013706NSC-3780iodo-m-xylene

Database identifiers

CAS
4214-28-2
PubChem CID
77885
DTXSID
DTXSID1063356
UNII
L963Q2G47M
EC Number
224-141-4
Nikkaji
J104.343I

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Kovats Retention Index1234.1

Physicochemical properties

Melting point
-2.9 °C · -2.9°C (estimate)
Boiling point
105 · 105-106 °C5 mm Hg(lit.)
Density
1.628 g/mL · 1.628 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.598(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
29039990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-iodo-2,4-dimethyl-: INACTIVE

Applications

Uses4-Iodo-m-xylene is a reactant used in the preparation of paralog-selective Hsp90 inhibitors.

Upstream & downstream products

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]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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