4-Amino-3,5-dichloropyridine

HCID 89888CAS 22889-78-7
Substructure searchFind similar structures

Basic information

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 properties

XLogP
1.4
Topological polar surface area
38.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

Uses4-Amino-3,5-dichloropyridine is a metabolite of the selective phosphodiesterase 4 (PDE4) inhibitor, Roflumilast (R639700).

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Related reactions

106 records
New reaction record

Linked notes

Loading…