Basic information
- CAS
108673-30-9- Standard SMILES
Nc1cc(I)c(I)c(I)c1- InChIKey
RKRCAPUDAJARDA-UHFFFAOYSA-N- Molecular formula
- C6H4I3N
- Average molar mass
- 470.82 g/mol
- Monoisotopic mass
- 470.74779313
Names & identifiers
- Preferred name
- 3,4,5-Triiodoaniline
- IUPAC
- 3,4,5-triiodoaniline
- English name
- Benzenamine, 3,4,5-triiodo-
- Molecular formula
- C6H4I3N
- Molecular weight
- 470.82
Names & synonyms
3,4,5-Triiodoaniline108673-30-9DTXSID90332549RefChem:485718DTXCID30283642Benzenamine, 3,4,5-triiodo-SCHEMBL3739331RKRCAPUDAJARDA-UHFFFAOYSA-NF577267
Database identifiers
- CAS
108673-30-9- PubChem CID
- 458690
- DTXSID
DTXSID90332549- EC Number
- 109-693-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 174.5 °C · 174.5 °C (decomp)
- Boiling point
- 419.3 · 419.3±45.0 °C(Predicted)
- Density
- 2.981 · 2.981±0.06 g/cm3(Predicted)
- pka
- 1.87 · 1.87±0.10(Predicted)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers7 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Related reactions
4 records
Compound notes
Loading…