Basic information
- CAS
105752-11-2- Standard SMILES
Nc1cnccc1I- InChIKey
ZJRSKTXMSIVNAU-UHFFFAOYSA-N- Molecular formula
- C5H5IN2
- Average molar mass
- 220.01 g/mol
- Monoisotopic mass
- 219.94975
Names & identifiers
- Preferred name
- 4-Iodopyridin-3-amine
- IUPAC
- 4-iodopyridin-3-amine
- English name
- 3-Amino-4-iodopyridine
- Molecular formula
- C5H5IN2
- Molecular weight
- 220.01
Names & synonyms
4-Iodopyridin-3-amineRefChem:524268678-659-43-Amino-4-iodopyridine105752-11-24-IODO-PYRIDIN-3-YLAMINEMFCD049713344-iodo-3-aminopyridineSCHEMBL14276093-Amino-4-iodopyridine, 97%CHEBI:132363CS-W007755
Show more names
3-amino-4-IodopyrdineZinc003345204-iodopyridin-3-amin4-Iodo-3-pyridinamine3-amine-4-iodopyridin3-Amnio-4-iodopyridine3-amine-4-iodopyridine
AC-5154PB23406DS-111203-Pyridinamine, 4-iodo-4-iodo-3-pyridinylamine4-Iodopyridin-3-ylamineBCP232004-iodo-3-pyridylamine
Database identifiers
- CAS
105752-11-2- PubChem CID
- 819132
- DTXSID
DTXSID80356052- ChEBI
CHEBI:132363- EC Number
- 678-659-4
- Nikkaji
- J977.556K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76
Physicochemical properties
- Melting point
- 69.2 · 69.2-69.5°C
- Boiling point
- 327.2 · 327.2±27.0 °C(Predicted)
- Density
- 2.055 · 2.055
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 4.79 · 4.79±0.18(Predicted)
- Appearance
- Light yellow to brown Solid
- Sensitive
- Air & Light Sensitive
- InChI
- InChI=1S/C5H5IN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
- InChIKey
- ZJRSKTXMSIVNAU-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(I)=C1N
- CAS DataBase Reference
- 105752 · 105752-11-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (14.9%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (85.1%)；Eye Irrit. 2A (17%)；Acute Tox. 4 (14.9%)；STOT SE 3 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
Chemistry & industry
Applications
Uses3-Amino-4-iodopyridine is a heterocyclic derivative and can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
5 records
Compound notes
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