Basic information
- CAS
13421-00-6- Standard SMILES
O=C(O)c1cc(Cl)ccc1I- InChIKey
NRPQWTVTBCRPEL-UHFFFAOYSA-N- Molecular formula
- C7H4ClIO2
- Average molar mass
- 282.46 g/mol
- Monoisotopic mass
- 281.89445
Names & identifiers
- Preferred name
- 5-Chloro-2-iodobenzoic acid
- IUPAC
- 5-chloro-2-iodobenzoic acid
- English name
- 5-Chloro-2-iodobenzoic acid
- Molecular formula
- C7H4ClIO2
- Molecular weight
- 282.46
Names & synonyms
5-Chloro-2-iodobenzoic acid13421-00-6DTXSID60158596RefChem:102308DTXCID7081087675-670-6NRPQWTVTBCRPEL-UHFFFAOYSA-N5-Chloro-2-iodo-benzoic acidMFCD00079733Benzoic acid, 5-chloro-2-iodo-AE-641/30105033SCHEMBL275101
Show more names
BUTTPARK 100\07-482-Iodo-5-chlorobenzoic acid5-Chloro-2-iodobnezoic Acid
5-chloro-2- iodobenzoic acid5-chloro-2-iodo benzoic acidCK1078SBB064624AKOS000109279CCG-234063NCGC00338301-01DS-12445
Database identifiers
- CAS
13421-00-6- PubChem CID
- 139451
- DTXSID
DTXSID60158596- EC Number
- 675-670-6
- Nikkaji
- J1.231.683F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 172 · 172-174°C
- Boiling point
- 336.4 · 336.4±27.0 °C(Predicted)
- Density
- 2.077 · 2.077±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.49 · 2.49±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C7H4ClIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
- InChIKey
- NRPQWTVTBCRPEL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(Cl)=CC=C1I
- CAS DataBase Reference
- 13421 · 13421-00-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 5 · 5-Chloro-2-iodobenzoic acid(13421-00-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29163990
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-39-28
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers100 total
常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
17 records
Compound notes
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