2-(4-브로모-페닐)-피롤리딘

2-(4-Bromophenyl)pyrrolidine

HCID 4281494

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 383127-22-8
표준 SMILES: Brc1ccc(C2CCCN2)cc1
InChIKey: HIJZBROSVFKSCP-UHFFFAOYSA-N
분자식: C10H12BrN
평균 분자량: 226.11 g/mol
단동위원소 질량: 225.01531148

이름 및 식별자

우선 이름: 2-(4-Bromophenyl)pyrrolidine
IUPAC: 2-(4-bromophenyl)pyrrolidine
현지명: 2-(4-브로모-페닐)-피롤리딘
영어명: 2-(4-BROMO-PHENYL)-PYRROLIDINE
분자식: C10H12BrN
분자량: 226.11

이름 및 동의어

2-(4-bromophenyl)pyrrolidine383127-22-8DTXSID80401531RefChem:252061DTXCID70352386676-373-42-(4-Bromo-phenyl)-pyrrolidineMFCD02663432C10H12BrNPyrrolidine,2-(4-bromophenyl)-Pyrrolidine, 2-(4-bromophenyl)-Oprea1_529913

이름 더 보기

2-(4-브로모-페닐)-피롤리딘MFCD11506298AKOS BB-88662-(4-bromophenyl)-pyrolidine4-(Pyrrolidin-3-yl)bromobenzene2-(4-Bromo-phenyl)-pyrrolidine 97%1-Bromo-4-(pyrrolidin-2-yl)benzene2-(4-BROMOPHENYL)PYRROLIDINE HYDROCHLORIDEtert-butyl 3-allyl-3-hydroxyazetidine-10-carboxylate

2-(4-bromophenyl)-pyrrolidineSCHEMBL1117897pyrrolidine, 2-(4-bromophenyl)-, hydrochlorideBBL02ALBB-021336(+/-)-2-(4-bromophenyl)pyrrolidineAKOS000158855AKOS016343549

데이터베이스 식별자

CAS: 383127-22-8
PubChem CID: 4281494
DTXSID: DTXSID80401531
EC Number: 676-373-4
Nikkaji: J2.179.803G

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

끓는 점: 287.2 · 287.2±33.0 °C(Predicted)
밀도: 1.369 · 1.369±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.58 · 9.58±0.10(Predicted)
InChI: InChI=1S/C10H12BrN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey: HIJZBROSVFKSCP-UHFFFAOYSA-N
SMILES: N1CCCC1C1=CC=C(Br)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): 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+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.