Basic information
- Standard SMILES
COc1cccc(I)c1- InChIKey
RSHBAGGASAJQCH-UHFFFAOYSA-N- Molecular formula
- C7H7IO
- Average molar mass
- 234.03 g/mol
- Monoisotopic mass
- 233.95416284
Names & identifiers
- Preferred name
- Benzene, 1-iodo-3-methoxy-
- IUPAC
- 1-iodo-3-methoxybenzene
- English name
- 3-Iodoanisole
- Molecular formula
- C7H7IO
- Molecular weight
- 234.03
Names & synonyms
3-Iodoanisole766-85-81-Iodo-3-methoxybenzenem-IodoanisoleBenzene, 1-iodo-3-methoxy-3-Methoxyphenyl iodideAnisole, m-iodo-m-MethoxyiodobenzeneEINECS 212-173-1NSC 60726DTXSID6061105212-173-1
Show more names
Bis-(6α3-IODOANISOLE3-lodoanisole3-Iodoanisole>3-Iodoanisole 98%
RefChem:562494DTXCID50479041-iodo-3-methoxy-benzeneMFCD00001048NSC-607263-Methoxyiodobenzenem-iodoanisolm-iodo-anisole
Database identifiers
- CAS
766-85-8- PubChem CID
- 69839
- DTXSID
DTXSID6061105- UNII
- L9JJR6U9YU
- EC Number
- 212-173-1
- Nikkaji
- J193.141E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
SpringerMaterials PropertiesMolecular structure
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 244 · 244-245 °C (lit.)
- Density
- 1.965 g/mL · 1.965 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.613(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Liquid
- Specific Gravity
- 1.965 · 1.965
- color
- Clear yellow
- Water Solubility
- Soluble in chloroform, alcohol, ether. Insoluble in water.
- Sensitive
- Light Sensitive
- BRN
- 1858896 · 1858896
- InChI
- 1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
- InChIKey
- RSHBAGGASAJQCH-UHFFFAOYSA-N
- SMILES
- COc1cccc(I)c1
- CAS DataBase Reference
- 766 · 766-85-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Iodoanisole(766-85-8)
- EPA Substance Registry System
- 1 · Benzene, 1-iodo-3-methoxy- (766-85-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26-24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Light Sensitive
- TSCA
- TSCA listed
- HS Code
- 29093090 · 29093090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Light Sensitive
- safety_code
- 26-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-iodo-3-methoxy-: INACTIVE
Applications
Uses3-Iodoanisole is used to produce 3,3'-Dimethoxy-biphenyl. It can be used in agrochemical, pharmaceutical and dyestuff field.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 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]
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南通润丰石油化工有限公司66017690 19952660367 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [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]
Syntechem Co.,Ltd[email protected]
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常州安轩化工有限公司13912302692 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
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四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
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北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
Related reactions
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