Basic information
- CAS
20511-15-3- Standard SMILES
Nc1cnccc1Cl- InChIKey
GTLFLMZOABSJSV-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2
- Average molar mass
- 128.56 g/mol
- Monoisotopic mass
- 128.01412584
Names & identifiers
- Preferred name
- 3-Amino-4-chloropyridine
- IUPAC
- 4-chloropyridin-3-amine
- English name
- 3-Amino-4-chloropyridine
- Molecular formula
- C5H5ClN2
- Molecular weight
- 128.56
Names & synonyms
3-Amino-4-chloropyridine20511-15-34-Chloro-3-pyridinamineDTXSID30342445RefChem:497256DTXCID90293525640-914-24-chloropyridin-3-amine4-Chloro-pyridin-3-ylamine3-PYRIDINAMINE, 4-CHLORO-MFCD002351244-Chloro-3-aminopyridine
Show more names
4-chloropyridine-3-aminechloropyridin-3-amine4-chlorpyridin-3-amin3-amino-4-clopyridine3-AMINO-4-CHLORPYRIDINE4-CHLORO-3-AMINO PYRIDINE
3-Amino-4-chloropyridine, 97%CS-D1565BP-20120EN300-77714AC-907/250055605-[[(1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-2,4,6,8-tetraoxa-5-phosphanonanedioic Acid (1-methylethyl,propyl) Ester 5-Oxide; nPOC-POC PMPA;BCP22842nPOC-POC Tenofovir
Database identifiers
- CAS
20511-15-3- PubChem CID
- 581932
- DTXSID
DTXSID30342445- UNII
- GT8F44VRG6
- EC Number
- 640-914-2
- Nikkaji
- J82.967F
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
- 76.8
Physicochemical properties
- Melting point
- 58 · 58-63 °C
- Boiling point
- 247.6 · 247.6±20.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- pka
- 3.77 · 3.77±0.10(Predicted)
- form
- Powder or Crystals
- color
- White to yellow
- BRN
- 110187 · 110187
- InChI
- InChI=1S/C5H5ClN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
- InChIKey
- GTLFLMZOABSJSV-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(Cl)=C1N
- CAS DataBase Reference
- 20511 · 20511-15-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (83.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (83.7%)
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38-41-37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,T
- safety_code
- 26-36/37/39-45-39
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses3-Amino-4-chloropyridine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Related reactions
26 records
Compound notes
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