Basic information
- CAS
624-76-0- Standard SMILES
OCCI- InChIKey
QSECPQCFCWVBKM-UHFFFAOYSA-N- Molecular formula
- C2H5IO
- Average molar mass
- 171.96 g/mol
- Monoisotopic mass
- 171.93851278
Overview
structure in first source
Names & identifiers
- Preferred name
- Iodoethanol
- IUPAC
- 2-iodoethanol
- English name
- 2-Iodoethanol
- Molecular formula
- C2H5IO
- Molecular weight
- 171.96
Names & synonyms
2-IODOETHANOL624-76-0Ethanol, 2-iodo-IodoethanolDTXSID3060792RefChem:87683DTXCID5043342210-861-6Ethylene iodohydrin2-iodoethan-1-olMFCD000028302-iodo-ethanol
Show more names
2-Indoethanol2-iodo-ethano2-iodoetnanolEthanol,2-iodo-2-Iodo-1-ethanol2-Iodoethanol,99%Glycol iodohydrin
EINECS 210-861-6NSC 85227BRN 1098258AI3-616304-01-00-01387 (Beilstein Handbook Reference)C2H5IOiodoethyl alcohol2-Iodoethanol; 2-Hydroxy Iodide; 2-Iodoethan-1-ol; Ethylene Iodohydrin; NSC 85227
Database identifiers
- CAS
624-76-0- PubChem CID
- 12225
- DTXSID
DTXSID3060792- EC Number
- 210-861-6
- Nikkaji
- J6.854C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 10
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 85 °C/25 · 85 °C/25 mmHg (lit.)
- Density
- 2.205 g/mL · 2.205 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.572(lit.)
- Flash point
- 150 °F · 150 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Soluble), Methanol (Slightly)
- pka
- 14.02 · 14.02±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 2.21 · approximate 2.21 (20℃)
- color
- Clear colorless to yellow-brown
- Water Solubility
- Soluble in water.
- Sensitive
- Light Sensitive
- BRN
- 1098258 · 1098258
- InChI
- 1S/C2H5IO/c3-1-2-4/h4H,1-2H2
- InChIKey
- QSECPQCFCWVBKM-UHFFFAOYSA-N
- SMILES
- OCCI
- CAS DataBase Reference
- 624 · 624-76-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Ethanol, 2-iodo-(624-76-0)
- EPA Substance Registry System
- 2 · Ethanol, 2-iodo- (624-76-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P405-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,Xi
- Risk Statements
- 25 · 25-40
- Safety Statements
- 45 · 45-36/37-28A
- RIDADR
- 2810 · UN 2810 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3820000 · KL3820000
- F
- 8 · 8-10-23
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29055910 · 29055910
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 Oral · Acute Tox. 2 Oral
- REACH Registrations
- Active
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P262, P264, P270, P280, P301+P316, P302+P352, P316, P318, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25505
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KL3820000
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29055910
- risk_code
- 25-40
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- safety_code
- 45-36/37-28A
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 Oral
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-iodo-: ACTIVE
Applications
Uses2-Iodoethanol is used in the preparation of the neuroexcitants such as 4-dicarboxylic acid, alfa-kainic acid, 3-(carboxymethyl)pyrrolidine-2 and alfa-isokainic acid.
General DescriptionThe standard molar enthalpy of 2-iodoethanol formation has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
201 records
Compound notes
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