Basic information
- CAS
2786-00-7- Standard SMILES
COc1ccc(I)cc1C(=O)O- InChIKey
FVEBPHMWZVPXQS-UHFFFAOYSA-N- Molecular formula
- C8H7IO3
- Average molar mass
- 278.04 g/mol
- Monoisotopic mass
- 277.94399208
Names & identifiers
- Preferred name
- 5-Iodo-2-methoxybenzoic acid
- IUPAC
- 5-iodo-2-methoxybenzoic acid
- English name
- 5-IODO-2-METHOXYBENZOIC ACID
- Molecular formula
- C8H7IO3
- Molecular weight
- 278.04
Names & synonyms
5-iodo-2-methoxybenzoic acid2786-00-7DTXSID70399155RefChem:303526DTXCID20350014970-292-0Benzoic acid, 5-iodo-2-methoxy-MFCD026838595-Iodo-2-methoxybenzoicacid2-Methoxy-5-iodobenzoic acid5-Jod-methoxybenzoesaureSCHEMBL233846
Show more names
5-Iodo-o-anisic acid5-Iodo-2-methoxybenzoic acid 97%
5-iodo-2-methoxy-benzoic Acid5-Iodo-2-methoxybenzoic acid, 975-Iodo-2-methoxybenzoic acid, 97%AKOS005201281AS-49549SY244638DB-349994CS-0131339
Database identifiers
- CAS
2786-00-7- PubChem CID
- 4086166
- DTXSID
DTXSID70399155- EC Number
- 970-292-0
- Nikkaji
- J2.366.316C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 150 · 150-155°C
- Boiling point
- 358.9 · 358.9±32.0 °C(Predicted)
- Density
- 1.878 · 1.878±0.06 g/cm3(Predicted)
- storage temp.
- RT, protect from light
- pka
- 3.74 · 3.74±0.10(Predicted)
- form
- solid
- Appearance
- White to light yellow Solid
- InChI
- 1S/C8H7IO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
- InChIKey
- FVEBPHMWZVPXQS-UHFFFAOYSA-N
- SMILES
- COc1ccc(I)cc1C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · 3
- HS Code
- 2916310090 · 2916310090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- hs_code
- 2916310090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers45 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
Related reactions
6 records
Compound notes
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