Basic information
- CAS
500699-01-4- Standard SMILES
CNc1ccc(C(=O)O)cc1I- InChIKey
BQXSIDNWDRETTD-UHFFFAOYSA-N- Molecular formula
- C8H8INO2
- Average molar mass
- 277.06 g/mol
- Monoisotopic mass
- 276.95998
Names & identifiers
- Preferred name
- 3-Iodo-4-(methylamino)benzoic acid
- IUPAC
- 3-iodo-4-(methylamino)benzoic acid
- English name
- 3-Iodo-4-(MethylaMino)benzoic acid
- Molecular formula
- C8H8INO2
- Molecular weight
- 277.06
Names & synonyms
3-iodo-4-(methylamino)benzoic acid500699-01-4MFCD111107593-Iodo-4-(methylamino)benzoicacidNSC1562793-iodo-4-(methylamino)DTXSID70303055AKOS015851055NSC-156279Benzoic acid, 3-iodo-4-(methylamino)-BS-50286SY342302
Show more names
DB-071095CS-0151039E76223F689548
Database identifiers
- CAS
500699-01-4- PubChem CID
- 291289
- DTXSID
DTXSID70303055
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 383.5 · 383.5±37.0 °C(Predicted)
- Density
- 1.93 · 1.930±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 4.55 · 4.55±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Suppliers17 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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