CAS 159603-71-1 tert-butyl N-(6-chloropyridin-2-yl)carbamate (HCID 11253185)

이름 및 식별자

우선 이름: tert-butyl N-(6-chloropyridin-2-yl)carbamate
IUPAC: tert-butyl N-(6-chloro-2-pyridinyl)carbamate
영어명: tert-Butyl (6-Chloropyridin-2-yl)-carbamate
분자식: C10H13ClN2O2
분자량: 228.68

이름 및 동의어

159603-71-1Tert-butyl N-(6-chloropyridin-2-yl)carbamateRefChem:896302805-417-9tert-Butyl (6-chloropyridin-2-yl)carbamate2-BOC-Amino-6-chloropyridinetert-Butyl 6-Chloropyridin-2-ylcarbamate2-(Boc-amino)-6-chloropyridineMFCD09030821tert-Butyl (6-Chloropyridin-2-yl)-carbamatetert-butyl N-(6-chloro-2-pyridyl)carbamatetert-Butyl(6-Chloropyridin-2-yl)-carbamate

이름 더 보기

tert-Butyl (6-chloropyridin-2-yl)2-Amino-6-chloropyridine, 2-Boc protectedt-butyl N-(6-chloro-2-pyridinyl)carbamateert-Butyl (6-Chloropyridin-2-yl)-carbamate2-tert-Butoxycarbonylamino-6-chloropyridine2-Amino-6-chloropyridine, 2-BOC protected 97%

Carbamic acid, N-(6-chloro-2-pyridinyl)-, 1,1-dimethylethyl estertert-butyl(6-chloropyridin-2-yl)carbamate(6-chloro-pyridin-2-yl)-carbamic acid tert-butyl ester(6-chloro-Carbamic acid, (6-chloro-2-pyridinyl)-, 1,1-dimethylethyl esterSCHEMBL1712579SCHEMBL29510654UEYNRRQJJHZENW-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 159603-71-1
PubChem CID: 11253185
EC Number: 805-417-9
Nikkaji: J2.001.975A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 51.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 87.5 · 87.5-89℃
끓는 점: 282.2 · 282.2±25.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 11.89 · 11.89±0.70(Predicted)
InChI: InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey: UEYNRRQJJHZENW-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=NC(Cl)=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야

용도tert-Butyl (6-Chloropyridin-2-yl)carbamate is used in preparation of Tetrahydro-1,8-naphthyridine compounds as ανβ6 integrin inhibitors useful for treatment.