Basic information
- CAS
50765-19-0- Standard SMILES
COC(=O)c1cc(I)cc([N+](=O)[O-])c1- InChIKey
GHZUTMKPZFZYSP-UHFFFAOYSA-N- Molecular formula
- C8H6INO4
- Average molar mass
- 307.04 g/mol
- Monoisotopic mass
- 306.93415567
Names & identifiers
- Preferred name
- Methyl 3-iodo-5-nitrobenzoate
- IUPAC
- methyl 3-iodo-5-nitrobenzoate
- English name
- Methyl 3-iodo-5-nitro-benzoate
- Molecular formula
- C8H6INO4
- Molecular weight
- 307.04
Names & synonyms
methyl 3-iodo-5-nitrobenzoate50765-19-0METHYL 3-IODO-5-NITRO-BENZOATEMFCD004638653-iodo-5-nitrobenzoic acid methyl ester3-iodo-5-nitro-benzoic acid methyl esterSCHEMBL310417methyl 5-iodo-3-nitrobenzoateDTXSID70427260GHZUTMKPZFZYSP-UHFFFAOYSA-NACA76519STK366069
Show more names
3-Iodo-5-nitro-methylbenzoateBenzoic acid, 3-iodo-5-nitro-, methyl ester
AKOS005259540SY318110CS-0317712ST51060974EN300-204648F240508
Database identifiers
- CAS
50765-19-0- PubChem CID
- 7020599
- DTXSID
DTXSID70427260
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 369.9 · 369.9±27.0 °C(Predicted)
- Density
- 1.904 · 1.904±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
新沂德米特生物科技有限公司16503038585 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
新沂华琚医药科技有限公司13761372795 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
Related reactions
32 records
Compound notes
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