Basic information
- CAS
69492-91-7- Standard SMILES
Cc1cc(I)c(O)c([N+](=O)[O-])c1- InChIKey
ZGSKNXKQYFZYAW-UHFFFAOYSA-N- Molecular formula
- C7H6INO3
- Average molar mass
- 279.03 g/mol
- Monoisotopic mass
- 278.93924
Names & identifiers
- Preferred name
- 2-Iodo-4-methyl-6-nitrophenol
- IUPAC
- 2-iodo-4-methyl-6-nitrophenol
- English name
- 2-Iodo-4-methyl-6-nitrophenol
- Molecular formula
- C7H6INO3
- Molecular weight
- 279.03
Names & synonyms
2-Iodo-4-methyl-6-nitrophenol69492-91-7DTXSID90334927RefChem:262198DTXCID70286016ZGSKNXKQYFZYAW-UHFFFAOYSA-NMFCD00060537SCHEMBL115368532-iodo-4-methyl-6-nitro-phenolAKOS015853621DB-021223Phenol, 2-iodo-4-methyl-6-nitro-
Database identifiers
- CAS
69492-91-7- PubChem CID
- 522351
- DTXSID
DTXSID90334927
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 82 · 82-84°C
- Boiling point
- 254.4 · 254.4±35.0 °C(Predicted)
- Density
- 2.021 · 2.021±0.06 g/cm3(Predicted)
- pka
- 5.79 · 5.79±0.38(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H410
- Precautionary statements
- 261 · P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2908190090 · 2908190090
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
- 2908190090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H317-H318-H410
- Precautionary statements
- P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
Chemistry & industry
Suppliers8 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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