Basic information
- CAS
166266-19-9- Standard SMILES
Cc1cc(I)cnc1N- InChIKey
WTHKBDPHSGITFJ-UHFFFAOYSA-N- Molecular formula
- C6H7IN2
- Average molar mass
- 234.04 g/mol
- Monoisotopic mass
- 233.96539622
Names & identifiers
- Preferred name
- 5-Iodo-3-methylpyridin-2-amine
- IUPAC
- 5-iodo-3-methylpyridin-2-amine
- English name
- 5-Iodo-3-methyl-2-pyridinamine
- Molecular formula
- C6H7IN2
- Molecular weight
- 234.04
Names & synonyms
166266-19-95-Iodo-3-methylpyridin-2-amineDTXSID60359329RefChem:536360DTXCID50310383675-566-02-amino-5-iodo-3-methylpyridine5-iodo-3-methyl-2-pyridinamine2-Amino-5-iodo-3-picoline5-Iodo-3-methyl-pyridin-2-ylamine2-Pyridinamine, 5-iodo-3-methyl-MFCD02102422
Show more names
AKOS BB-8252ASISCHEM X20904ART-CHEM-BB B0252862-Amino-5-iodo-3-methyL2-Amino-3-methyl-5-iodipyridine
2-amino-3-methyl-5-iodopyridine5-iodo-3-methyl-pyridin-2-amineSTK730290AB10923AC-5419SY025932EN300-85873I10162
Database identifiers
- CAS
166266-19-9- PubChem CID
- 959586
- DTXSID
DTXSID60359329- EC Number
- 675-566-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 110.2 · 110.2-110.5°C
- Boiling point
- 303.4 · 303.4±42.0 °C(Predicted)
- Density
- 1.898 · 1.898±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- solid
- pka
- 5.22 · 5.22±0.49(Predicted)
- Appearance
- Light yellow to yellow Solid
- Sensitive
- Light Sensitive
- λmax
- 296 nm · 296nm(lit.)
- InChI
- 1S/C6H7IN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
- InChIKey
- WTHKBDPHSGITFJ-UHFFFAOYSA-N
- SMILES
- Cc1cc(I)cnc1N
- CAS DataBase Reference
- 166266 · 166266-19-9(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
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
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (71.4%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
15 records
Compound notes
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