N-(tert-Butoxycarbonyl)-2-bromoaniline

HCID 3571360

노트 반응

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기본 정보

CAS: 78839-75-5
표준 SMILES: CC(C)(C)OC(=O)Nc1ccccc1Br
InChIKey: UQBGKDLSIIHUEZ-UHFFFAOYSA-N
분자식: C11H14BrNO2
평균 분자량: 272.14 g/mol
단동위원소 질량: 271.02079079

이름 및 식별자

우선 이름: N-(tert-Butoxycarbonyl)-2-bromoaniline
IUPAC: tert-butyl N-(2-bromophenyl)carbamate
영어명: N-(tert-Butoxycarbonyl)-2-bromoaniline
분자식: C11H14BrNO2
분자량: 272.14

이름 및 동의어

78839-75-5N-(tert-Butoxycarbonyl)-2-bromoanilineDTXSID10393753RefChem:362912DTXCID00344613624-859-1tert-Butyl (2-bromophenyl)carbamatetert-butyl N-(2-bromophenyl)carbamaten-boc-2-bromoanilineMFCD01006614tert-butyl 2-bromophenylcarbamateSCHEMBL632629

이름 더 보기

tert-Butyl (2-bromophenyl)ert-butylN-(2-bromophenyl)carbamate2-Bromo-N-(tert-butoxycarbonyl) anilineN-(tert-Butoxycarbonyl)-2-bromoaniline 97%Carbamic acid, N-(2-bromophenyl)-, 1,1-dimethylethyl ester

AB8586AKOS013602727GS-61632-bromo-N-(tert-Butoxy carbonyl) anilineEN300-137912N-Boc 2-Bromoaniline(2-Bromophenyl)carbamic acid, 1,1-dimethylethyl esterSCHEMBL5759465

데이터베이스 식별자

CAS: 78839-75-5
PubChem CID: 3571360
DTXSID: DTXSID10393753
EC Number: 624-859-1
Nikkaji: J782.394K

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 110 °C0.3 · 110 °C0.3 mm Hg(lit.)
밀도: 1.342 g/mL · 1.342 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.54(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 12.93 · 12.93±0.70(Predicted)
InChI: 1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChIKey: UQBGKDLSIIHUEZ-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)Nc1ccccc1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 39 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 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도N-(tert-Butoxycarbonyl)-2-bromoaniline may be used in the synthesis of N-boc-protected o-aryl anilines, which undergoes coupling reaction with bromoacetylenes to form the corresponding areneynamides.

일반 설명N-(tert-Butoxycarbonyl)-2-bromoaniline, also known as tert-butyl-N-(2-bromophenyl)carbamate, is an N-Boc-protected o-bromoaniline.1 It reacts with ethyl perfluorooctanoate in the presence of tert-butyllithium to form the corresponding 1-hydroxy-1H-perfluorooctyl compound.

상·하류 제품 정보

상류 원료

공급사55 곳

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

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

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