Basic information
- Standard SMILES
COc1ccc(I)c(F)c1- InChIKey
CGSWCMRVWKVUSA-UHFFFAOYSA-N- Molecular formula
- C7H6FIO
- Average molar mass
- 252.02 g/mol
- Monoisotopic mass
- 251.94474103
Names & identifiers
- Preferred name
- 2-Fluoro-1-iodo-4-methoxybenzene
- IUPAC
- 2-fluoro-1-iodo-4-methoxybenzene
- English name
- 3-Fluoro-4-iodoanisole
- Molecular formula
- C7H6FIO
- Molecular weight
- 252.02
Names & synonyms
458-51-52-Fluoro-1-iodo-4-methoxybenzeneDTXSID40611210RefChem:87038DTXCID60561965893-682-13-Fluoro-4-iodoanisole2-fluoro-1-iodo-4-methoxy-benzeneMFCD11226328Benzene, 2-fluoro-1-iodo-4-methoxy-3-fluoro-4-iodoaniosleSCHEMBL1510025
Show more names
CGSWCMRVWKVUSA-UHFFFAOYSA-NAKOS017560947DB-182125CS-0191290E90468EN300-307029F629217
Database identifiers
- CAS
458-51-5- PubChem CID
- 21187203
- DTXSID
DTXSID40611210- EC Number
- 893-682-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 223.1 · 223.1±25.0 °C(Predicted)
- Density
- 1.803 · 1.803±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
济南可为生物科技有限公司15315592897 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海宏驹医药科技有限公司18001895509 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Linked notes
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