2-Amino-3-chloropyridine

HCID 693267

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Basic information

CAS: 39620-04-7
Standard SMILES: Nc1ncccc1Cl
InChIKey: RZJPBQGRCNJYBU-UHFFFAOYSA-N
Molecular formula: C5H5ClN2
Average molar mass: 128.56 g/mol
Monoisotopic mass: 128.01412584

Names & identifiers

Preferred name: 2-Amino-3-chloropyridine
IUPAC: 3-chloropyridin-2-amine
English name: 2-Amino-3-chloropyridine
Molecular formula: C5H5ClN2
Molecular weight: 128.56

Names & synonyms

2-Amino-3-chloropyridine39620-04-7DTXSID20351203RefChem:463871DTXCID20302270678-697-13-chloropyridin-2-amine3-chloro-pyridin-2-ylamineMFCD035410523-chloro-2-pyridinamine3-chloranylpyridin-2-amine2-PYRIDINAMINE, 3-CHLORO-

Show more names

AURORA 15088IFLAB-BB F3099-7175OTAVA-BB BB7110951381Pyridinamine, 3-chloro3-Choro-2-pyridinamine2-AMino-3-chloropyridiAmino-3-Chloropyridine

Edoxaban Impurity 333-chloro-2-pyridylamine3-chloro-2-pyridinylamineSCHEMBL103842SCHEMBL17037403(3-chloro-pyridin-2-yl)-amineAB15555TS-01690

Database identifiers

CAS: 39620-04-7
PubChem CID: 693267
DTXSID: DTXSID20351203
UNII: X5U43G46A3
EC Number: 678-697-1
Nikkaji: J29.747J

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

Physicochemical properties

Melting point: 59 · 59-62℃
Boiling point: 207 · 207.0±20.0 °C(Predicted)
Density: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 4.14 · 4.14±0.36(Predicted)
color: White to Orange to Green
InChI: InChI=1S/C5H5ClN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
InChIKey: RZJPBQGRCNJYBU-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC=C1Cl
CAS DataBase Reference: 39620 · 39620-04-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22-20/21/22
Safety Statements: 26 · 26-36/37/39-39-36/37-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.