tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate

HCID 53415320

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Grundinformationen

CAS: 400777-00-6
Standard-SMILES: CC(C)(C)OC(=O)Nc1cnc(Cl)cc1I
InChIKey: YCBOUHLCYYKTFG-UHFFFAOYSA-N
Summenformel: C10H12ClIN2O2
Durchschnittliche Molmasse: 354,57 g/mol
Monoisotopische Masse: 353,9632

Namen und Bezeichner

Bevorzugter Name: tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate
IUPAC: tert-butyl N-(6-chloro-4-iodo-3-pyridinyl)carbamate
Englischer Name: CARBAMIC ACID, (6-CHLORO-4-IODO-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
Summenformel: C10H12ClIN2O2
Molmasse: 354.57

Namen und Synonyme

400777-00-6tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamateDTXSID40697039RefChem:383074DTXCID10647788894-561-6TERT-BUTYL N-(6-CHLORO-4-IODOPYRIDIN-3-YL)CARBAMATEMFCD11977418Carbamic acid, (6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethylethyl esterTERT-BUTYL 6-CHLORO-4-IODOPYRIDIN-3-YLCARBAMATEtert-butyl(6-chloro-4-iodopyridin-3-yl)carbamateAKOS016005339

Weitere Namen anzeigen

-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-diMethylethyl ester1,1-DimethylethylN-(6-chloro-4-iodo-3-pyridinyl)carbamateN-(6-chloro-4-iodo-3-pyridinyl)carbamic acid tert-butyl esterCarbamicacid, N-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethyl...Carbamic acid, N-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethylethyl ester

CS-W007089N-Boc-6-chloro-4-iodopyridin-3-amineSB83680(6-Chloro-4-iodopyridin-3-yl)carbamic acid tert-butyl ester1,1-dimethylethyl (6-chloro-4-iodo-3-pyridinyl)carbamate(6-chloro-4-iodo-pyridin-3-yl)-carbamic acid tert-butyl ester(6-Chloro-4-iodo-3-pyridinyl)-carbamic acid 1,1-dimethylethyl esterSCHEMBL1581324

Datenbank-Bezeichner

CAS: 400777-00-6
PubChem CID: 53415320
DTXSID: DTXSID40697039
EC Number: 894-561-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 51,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 258

Physikochemische Eigenschaften

Siedepunkt: 339.7 · 339.7±42.0 °C(Predicted)
Dichte: 1.723 · 1.723±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 11.27 · 11.27±0.70(Predicted)
InChI: InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-7-5-13-8(11)4-6(7)12/h4-5H,1-3H3,(H,14,15)
InChIKey: YCBOUHLCYYKTFG-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=C(I)C=C(Cl)N=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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.