2-Chloro-5-iodopyridin-4-amine

HCID 45480366

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Basic information

CAS: 800402-12-4
Standard SMILES: Nc1cc(Cl)ncc1I
InChIKey: DEJUUKULVAIMNF-UHFFFAOYSA-N
Molecular formula: C5H4ClIN2
Average molar mass: 254.45 g/mol
Monoisotopic mass: 253.91077381

Names & identifiers

Preferred name: 2-Chloro-5-iodopyridin-4-amine
IUPAC: 2-chloro-5-iodopyridin-4-amine
English name: 2-Chloro-5-iodo-4-pyridinamine
Molecular formula: C5H4ClIN2
Molecular weight: 254.46

Names & synonyms

800402-12-42-chloro-5-iodopyridin-4-amineDTXSID20670325RefChem:258962DTXCID20621074804-398-42-Chloro-5-iodo-4-pyridinamine4-Amino-2-chloro-5-iodopyridineMFCD098346612-CHLORO-5-IODO-PYRIDIN-4-YLAMINE2-chloro-4-amino-5-iodopyridine4-Pyridinamine, 2-chloro-5-iodo-

Show more names

2-CHL0R0-5-I0D0-4- PYRIDINAMINE4-Amino-5-iodo-2-chloropyridine4-Amino-2-chloro-5-iodopyridine,95%

2-CHLORO-5-IODO-PYRIDINE-4-YLAMINESCHEMBL441657SCHEMBL295349872-chloro-5-iodo-4-pyridylamineDEJUUKULVAIMNF-UHFFFAOYSA-N2-chloro-5-iodopyridin-4-ylamineSBB1014532-chloro-5-iodo-pyridin-4-yl-amine

Database identifiers

CAS: 800402-12-4
PubChem CID: 45480366
DTXSID: DTXSID20670325
EC Number: 804-398-4
Nikkaji: J3.472.573J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 126 · 126-127°
Boiling point: 367.8 · 367.8±42.0 °C(Predicted)
Density: 2.139 · 2.139±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 2.96 · 2.96±0.42(Predicted)
Appearance: White to off-white Solid
Sensitive: Light Sensitive
InChI: InChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
InChIKey: DEJUUKULVAIMNF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(I)C(N)=C1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
Hazard Codes: Xi
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.