CAS 400777-00-6 tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate (HCID 53415320)

名称と識別子

優先名称: tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate
IUPAC: tert-butyl N-(6-chloro-4-iodo-3-pyridinyl)carbamate
英語名: CARBAMIC ACID, (6-CHLORO-4-IODO-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
分子式: C10H12ClIN2O2
分子量: 354.57

名称と別名

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

名称をさらに表示

-(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

データベース識別子

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

物性

構造計算による物性

XLogP: 3
極性表面積: 51.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 258

物理化学的性質

沸点: 339.7 · 339.7±42.0 °C(Predicted)
比重(密度): 1.723 · 1.723±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(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

安全と法規制

GHS分類

GHS Classification · 5 件

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.