(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester

HCID 7330593CAS 171178-45-3

기본 정보

표준 SMILES: CC(C)(C)OC(=O)Nc1ccc(Cl)nc1
InChIKey: IRHNQVINMHHEIO-UHFFFAOYSA-N
분자식: C10H13ClN2O2
평균 분자량: 228.67 g/mol
단동위원소 질량: 228.06655534

이름 및 식별자

우선 이름: (6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-(6-chloro-3-pyridinyl)carbamate
영어명: 5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine
분자식: C10H13ClN2O2
분자량: 228.68

이름 및 동의어

(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl esterRefChem:405016674-563-1171178-45-3tert-Butyl (6-chloropyridin-3-yl)carbamate5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridinetert-butyl N-(6-chloropyridin-3-yl)carbamatetert-Butyl 6-chloropyridin-3-ylcarbamateMFCD08062421tert-butyl N-(6-chloro-3-pyridyl)carbamate3-(Boc-amino)-6-chloropyridineCarbamic acid, (6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester

이름 더 보기

N-Boc-6-chloro-3-pyridinamine5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLORert-butylN-(6-chloropyridin-3-yl)carbamate5-tert-ButoxycarbonylaMino-2-chloropyridine1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamateN-(6-chloro-3-pyridinyl)carbamic acid tert-butyl ester

(6-Chloro-pyridin-3-yl)-carbamic acid tert-butylesterSB798855-(t-butoxycarbonylamino)-2-chloropyridine1,1-Dimethylethyl (6-Chloro-3-pyridinyl)carbamate(6-chloro-pyridin-3-yl)-carbamic acid, tert-butyl ester5-Boc-Amino-2-chloropyridine(6-Chloro-pyridtert-butyl(6-chloropyridin-3-yl)carbamate

데이터베이스 식별자

CAS: 171178-45-3
PubChem CID: 7330593
DTXSID: DTXSID60428544
EC Number: 674-563-1
Nikkaji: J763.326B

물성

구조 계산 물성

XLogP: 2.4
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 127 · 127-129°C
끓는 점: 283.7 · 283.7±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): 12.06 · 12.06±0.70(Predicted)
InChI: InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKey: IRHNQVINMHHEIO-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=CC=C(Cl)N=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 29333990
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

5-Amino-2-chloropyridine 노르말헥산 디 -Tert- 부틸 디 카보네이트 트리에틸아민 1.4-다이옥세인 디클로로메탄 석유 에테르 6-클로로니코틴산 tert-부틸알코올 4-다이메틸아미노피리딘

하류 제품

6-Chloro-4-iodopyridin-3-amine CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르 5-Amino-2-chloropyridine-4-carboxylic acid (6-Chloro-4-methyl-pyridin-3-yl)-carbamic acid tert-butyl ester

공급사50 곳

河南萨克斯生物科技有限公司13803717460 · [email protected]

南京翔睿科技有限公司021-021-00000000 15715199582

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

연결된 노트

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