tert-Butyl 3-(bromomethyl)phenylcarbamate

HCID 14523558CAS 118684-32-5

기본 정보

표준 SMILES: CC(C)(C)OC(=O)Nc1cccc(CBr)c1
InChIKey: HQPYEVSQMSDBFG-UHFFFAOYSA-N
분자식: C12H16BrNO2
평균 분자량: 286.16 g/mol
단동위원소 질량: 285.03644085

이름 및 식별자

우선 이름: tert-Butyl 3-(bromomethyl)phenylcarbamate
IUPAC: tert-butyl N-[3-(bromomethyl)phenyl]carbamate
영어명: tert-Butyl 3-(bromomethyl)phenylcarbamate
분자식: C12H16BrNO2
분자량: 286.16

이름 및 동의어

tert-Butyl 3-(bromomethyl)phenylcarbamate1,1-Dimethylethyl N-[3-(bromomethyl)phenyl]carbamate1,1-Dimethylethyl N-(3-(bromomethyl)phenyl)carbamateRefChem:893061888-325-1118684-32-5tert-Butyl (3-(bromomethyl)phenyl)carbamateTERT-BUTYL N-[3-(BROMOMETHYL)PHENYL]CARBAMATEN-Boc-3-(bromomethyl)anilineMFCD11974927tert-butyl [3-(bromomethyl)phenyl]carbamatetert-Butyl(3-(bromomethyl)phenyl)carbamate

이름 더 보기

Ter-Butyl-3-(bromomethyl)phenyl carbamate3-[(tert-Butoxycarbonyl)amino]benzyl bromide3-(bromethyl)phenylaminomacetic acidtertbutyl esterCarbamic acid, N-[3-(bromomethyl)phenyl]-,1,1-dimethylethyl ...

tert-butyl[3-(bromomethyl)phenyl]carbamate3-(Bromomethyl)aniline, N-BOC protectedCarbamic acid, [3-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester2-Methyl-2-propanyl [3-(bromomethyl)phenyl]carbamateSCHEMBL1865895[3-[N-(tert-butoxycarbonyl)amino]phenyl]methyl bromideSCHEMBL30632213HQPYEVSQMSDBFG-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 118684-32-5
PubChem CID: 14523558
DTXSID: DTXSID501219334
EC Number: 888-325-1

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 122 °C · 122 °C
끓는 점: 309 · 309.0±25.0 °C(Predicted)
밀도: 1.376 · 1.376±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 13.58 · 13.58±0.70(Predicted)
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, 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.