Basic information
- CAS
16807-13-9- Standard SMILES
Ic1ccc2[nH]c3ccccc3c2c1- InChIKey
OYIGWMXXIFYAGD-UHFFFAOYSA-N- Molecular formula
- C12H8IN
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 292.97014726
Names & identifiers
- Preferred name
- 3-iodo-9H-carbazole
- IUPAC
- 3-iodo-9H-carbazole
- English name
- 3-Iodo-9H-carbazole
- Molecular formula
- C12H8IN
- Molecular weight
- 293.1
Names & synonyms
3-iodo-9H-carbazole16807-13-93-iodocarbazoleDTXSID30394929RefChem:502732DTXCID20345788808-122-39H-Carbazole, 3-iodo-MFCD00267746C12H8IN3-Iodocarbazole, 99%SCHEMBL668946
Show more names
3-iodo-9H-carbzole3-Iodocarbazole >9H-Carbazole, 3-iodo-3-Iodine-9H-carbazoleTIANFU-CHEM 3-Iodocarbazole-3-Iodo-9H-carbazole ISO 9001：2015 REACH
orb1908049CHEMBL5090936SCHEMBL30272740TNU0953STK926920AKOS002242826CS-W021947DS-9819
Database identifiers
- CAS
16807-13-9- PubChem CID
- 3678069
- DTXSID
DTXSID30394929- ChEMBL
CHEMBL5090936- EC Number
- 808-122-3
- Nikkaji
- J1.352.752K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 195 · 195-197℃
- Boiling point
- 430.6 · 430.6±18.0 °C(Predicted)
- Density
- 1.854 · 1.854
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 16.54 · 16.54±0.30(Predicted)
- color
- White to Light yellow to Light orange
- λmax
- 340 nm · 340nm(CH3CN)(lit.)
- InChI
- InChI=1S/C12H8IN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
- InChIKey
- OYIGWMXXIFYAGD-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1C=CC(I)=C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Description3-Iodo-9H-carbazole is a chemical compound used in the research and development of organic materials for optoelectronic devices, such as OLEDs (organic light-emitting diodes). It has also been studied for its potential use in pharmaceuticals. It may cause skin and eye irritation, respiratory issues, and other health hazards if not handled properly. Therefore, it must be stored in a well-ventilated area, away from heat sources or combustible materials.
Uses3-Iodo-9H-carbazole is pharmaceutical intermediates and important intermediates in the synthesis of optoelectronic materials.
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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
10 records
Compound notes
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