Basic information
- CAS
52914-23-5- Standard SMILES
OCCc1ccc(I)cc1- InChIKey
GYUSTTSSRXDFKG-UHFFFAOYSA-N- Molecular formula
- C8H9IO
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 247.96981291
Names & identifiers
- Preferred name
- 2-(4-Iodophenyl)ethan-1-ol
- IUPAC
- 2-(4-iodophenyl)ethanol
- English name
- 4-Iodophenethyl alcohol
- Molecular formula
- C8H9IO
- Molecular weight
- 248.06
Names & synonyms
2-(4-iodophenyl)ethan-1-olRefChem:457841898-198-42-(4-iodophenyl)ethanol52914-23-54-iodophenylethylalcohol4-iodophenethyl alcohol2-(4-Iodo-phenyl)-ethanolp-Iodophenethyl alcoholPhenethyl alcohol, p-iodo-MFCD00173705Benzeneethanol, 4-iodo-
Show more names
2-(4-Iodophenyl)4-Iodobenzeneethanol4-IODO PHENYL ETHANOL
4-iodophenylethyl alcoholBRN 19336214-06-00-03082 (Beilstein Handbook Reference)SCHEMBL1416810SCHEMBL9026340DTXSID20200964GYUSTTSSRXDFKG-UHFFFAOYSA-NAKOS014815353
Database identifiers
- CAS
52914-23-5- PubChem CID
- 3040770
- DTXSID
DTXSID20200964- EC Number
- 898-198-4
- Nikkaji
- J71.110A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Melting point
- 48 · 48-49℃
- Boiling point
- 276 ℃ · 276℃
- Density
- 1.749 · 1.749
- Flash point
- 121 ℃ · 121℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 14.79 · 14.79±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2905190098 · 2905190098
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2905190098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers83 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Related reactions
24 records
Compound notes
Loading…