2-Chloropyridine-3,4-diamine (HCID 285736)

Names & identifiers

Preferred name: 2-Chloropyridine-3,4-diamine
IUPAC: 2-chloropyridine-3,4-diamine
English name: 2-Chloro-3,4-diaminopyridine
Molecular formula: C5H6ClN3
Molecular weight: 143.57

Names & synonyms

2-chloropyridine-3,4-diamineDTXSID90301412RefChem:470508DTXCID40252546686-011-739217-08-82-CHLORO-3,4-DIAMINOPYRIDINE3,4-Diamino-2-chloropyridine2-Chloro-3,4-pyridinediamineMFCD07363739NSC143160SCHEMBL337291

Show more names

NSC 143160oropyridine-3,4-diamine2-Chloro-3,4-pyridinediam...3,4-Pyridinediamine, 2-chloro-(4-amino-2-chloro-3-pyridyl)amine2-chloropyridine-3,4-diaMinehydrochloride

SCHEMBL29738526CS-D07762-CHLOROPYRIDIN-3,4-DIAMINESBB079600SC32213,4-Diamino-2-chloropyridine, 97%AKOS005257926GS-5810

Database identifiers

CAS: 39217-08-8
PubChem CID: 285736
DTXSID: DTXSID90301412
EC Number: 686-011-7
Nikkaji: J1.876.825I

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 98

Physicochemical properties

Melting point: 158 · 158-163℃
Boiling point: 381.3 · 381.3±37.0 °C(Predicted)
Density: 1.447 · 1.447±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Methanol
form: powder to crystal
pka: 4.79 · 4.79±0.42(Predicted)
color: Light yellow to Brown to Dark green
InChI: 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
SMILES: Nc1ccnc(Cl)c1N
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H317-H319
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-43-36-22
Safety Statements: 26 · 26-37-36/37-24/25-36/37/39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 29333990 · 29333990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 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. 3 (97.7%)；Skin Sens. 1 (97.7%)；Eye Irrit. 2A (100%)

Safety data

wgk: 3
ridadr: 2811
hs_code: 29333990
risk_code: 36/37/38-43-36-22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,Xn
safety_code: 26-37-36/37-24/25-36/37/39
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H317-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338