Basic information
- CAS
20469-63-0- Standard SMILES
COc1ccc(I)c(OC)c1- InChIKey
ZDUYJCKEORTAQE-UHFFFAOYSA-N- Molecular formula
- C8H9IO2
- Average molar mass
- 264.06 g/mol
- Monoisotopic mass
- 263.96473
Names & identifiers
- Preferred name
- 1-Iodo-2,4-dimethoxybenzene
- IUPAC
- 1-iodo-2,4-dimethoxybenzene
- English name
- 2,4-Dimethoxyiodobenzene
- Molecular formula
- C8H9IO2
- Molecular weight
- 264.06
Names & synonyms
20469-63-01-Iodo-2,4-dimethoxybenzeneRefChem:433232606-562-92,4-DimethoxyiodobenzeneBenzene, 1-iodo-2,4-dimethoxy-1,3-Dimethoxy-4-iodobenzene1-Iodo-2,4-dimethoxy-benzeneMFCD000592682,4-dimethoxy-1-iodobenzeneCBDivE_0030601-Iodo-2,4-dimethoxybenzene #
Show more names
Dimethoxyiodobenzene3-Methoxy-4-iodoanisole2,4-Dimethoxyphenyl iodide4-IODO-1,3-DIMETHOXYBENZENE2,4-Dimethoxyiodobenzene >Benzene, 1-iodo-2,4-dimethoxy-
AKOS015851684PS-6041SY050269NSC897744-iodo-3-methoxy anisole1-IoCambridge id 5107587NCIOpen2_006201
Database identifiers
- CAS
20469-63-0- PubChem CID
- 140694
- DTXSID
DTXSID50174442- EC Number
- 606-562-9
- Nikkaji
- J150.891A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 37 · 37-41 °C(lit.)
- Boiling point
- 135 °C · 135°C 14mm
- Density
- 1.655 · 1.655±0.06 g/cm3(Predicted)
- refractive index
- 1.61 · 1.6100
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- Sensitive
- Light Sensitive
- BRN
- 1945135 · 1945135
- InChI
- 1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
- InChIKey
- ZDUYJCKEORTAQE-UHFFFAOYSA-N
- SMILES
- COc1ccc(I)c(OC)c1
- CAS DataBase Reference
- 20469 · 20469-63-0(CAS DataBase Reference)
- NIST Chemistry Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): 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 6 reports by companies from 3 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 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2909309090
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers94 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
4 records
Compound notes
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