4-Amino-3,5-dichloropyridine
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Basic information
- CAS
22889-78-7- Standard SMILES
Nc1c(Cl)cncc1Cl- InChIKey
ISIQAMHROGZHOV-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2
- Average molar mass
- 163 g/mol
- Monoisotopic mass
- 161.97515349
Overview
metabolite of RP 73401
Names & identifiers
- Preferred name
- 4-Amino-3,5-dichloropyridine
- IUPAC
- 3,5-dichloropyridin-4-amine
- English name
- 4-Amino-3,5-dichloropyridine
- Molecular formula
- C5H4Cl2N2
- Molecular weight
- 163
Names & synonyms
4-Amino-3,5-dichloropyridine22889-78-73,5-Dichloropyridin-4-amineF7AS459SFDDTXSID00177428BYK20139RefChem:486771DTXCID3099919245-304-6228809-78-74-Pyridinamine, 3,5-dichloro-3,5-Dichloro-4-pyridinamine
Show more names
4-Amino-3,5-Dichloropyridine 99%AURORA 23319Roflumilast-3AKOS BBS-00001335Roflumilast Imp.C4-Amino-3,5-dichLBUTTPARK 153\57-30OTAVA-BB BB7017520048
MFCD001250233,5-Dichloro-4-pyridine amine3,5-dichloro-4-amino pyridine3,5-dichloro-4-aminopyridine4-amino-3,5-dichloro pyridineEN300-173073,5-dichloro-4-pyridylamine3,5-Dichloro-4-aminopyridine; 3,5-Dichloropyridin-4-ylamine;
Database identifiers
- CAS
22889-78-7- PubChem CID
- 89888
- DTXSID
DTXSID00177428- UNII
- F7AS459SFD
- EC Number
- 245-304-6
- Nikkaji
- J31.388B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- 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
- 89
Physicochemical properties
- Melting point
- 159 °C · 159°C
- Boiling point
- 250.8 · 250.8±35.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.48 · 1.48±0.10(Predicted)
- color
- Off-White to Pale Beige
- BRN
- 120547 · 120547
- InChIKey
- ISIQAMHROGZHOV-UHFFFAOYSA-N
- CAS DataBase Reference
- 22889 · 22889-78-7(CAS DataBase Reference)
- FDA UNII
- 7 AS459SFD · F7AS459SFD
- Comptox DTXSID
- 177428 · DTXSID00177428
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Danger
H300 (47.9%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 219 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (47.9%)
Safety data
- hs_code
- 2933399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332-H335-H315-H319
- Precautionary statements
- P280h-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Amino-3,5-dichloropyridine is a metabolite of the selective phosphodiesterase 4 (PDE4) inhibitor, Roflumilast (R639700).
Related reactions
106 records
Compound notes
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