Basic information
- Standard SMILES
Nc1cc(Cl)ccn1- InChIKey
RQMWVVBHJMUJNZ-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2
- Average molar mass
- 128.56 g/mol
- Monoisotopic mass
- 128.0141259
Names & identifiers
- Preferred name
- 2-Amino-4-chloropyridine
- IUPAC
- 4-chloropyridin-2-amine
- English name
- 2-Amino-4-chloropyridine
- Molecular formula
- C5H5ClN2
- Molecular weight
- 128.56
Names & synonyms
2-Amino-4-chloropyridine19798-80-24-Chloro-2-pyridinamineDTXSID70342444RefChem:464274DTXCID30293524629-610-04-chloropyridin-2-amine4-Chloro-pyridin-2-ylamine2-Pyridinamine, 4-chloro-MFCD041138204-chloro-2-pyridylamine
Show more names
4-CHLORO-PYRIDINE-2-YLAMINEDK765cas:19798-80-2IFLAB-BB F1926-00044-Chloropyrid-2-ylaMine4-Chloro-2-amine-pyridin
2-Amino4-chloropyridine2-amino-4-chloropyridin2-amino-4-chloro-pyridineCHEMBL2937284-CHLORO-2-AMINOPYRIDINE2-Amino-4-chloropyridine, 97%BBL011142PB32361
Database identifiers
- CAS
19798-80-2- PubChem CID
- 581866
- DTXSID
DTXSID70342444- ChEMBL
CHEMBL293728- UNII
- 7P9WD6H6GN
- EC Number
- 629-610-0
- Nikkaji
- J82.896C
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 126 · 126-127°C
- Boiling point
- 240.8 · 240.8±20.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 5.72 · 5.72±0.11(Predicted)
- form
- Liquid
- color
- Colorless to yellow to brown
- λmax
- 294 nm · 294nm(CHCl3)(lit.)
- Sensitive
- Air & Moisture Sensitive
- InChI
- InChI=1S/C5H5ClN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
- InChIKey
- RQMWVVBHJMUJNZ-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC(Cl)=C1
- CAS DataBase Reference
- 19798 · 19798-80-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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, 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 9 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 (93.6%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-4-chloropyridine is a useful precursor that could be used to synthesize 2-amino-4,5-dichloropyridine, 2-amino-3,4-dichloropyridine, and 2-amino-3,4,5-trichloropyridine[1].
Upstream & downstream products
Upstream raw materials
Downstream products
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