CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르

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

HCID 53415320CAS 400777-00-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)Nc1cnc(Cl)cc1I
InChIKey: YCBOUHLCYYKTFG-UHFFFAOYSA-N
분자식: C10H12ClIN2O2
평균 분자량: 354.57 g/mol
단동위원소 질량: 353.9632

이름 및 식별자

우선 이름: tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate
IUPAC: tert-butyl N-(6-chloro-4-iodo-3-pyridinyl)carbamate
현지명: CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르
영어명: CARBAMIC ACID, (6-CHLORO-4-IODO-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
분자식: C10H12ClIN2O2
분자량: 354.57

이름 및 동의어

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

이름 더 보기

CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 51.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 258

물리화학적 성질

끓는 점: 339.7 · 339.7±42.0 °C(Predicted)
밀도: 1.723 · 1.723±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.