2-Phenylpiperazine

HCID 250673CAS 5271-26-1

기본 정보

표준 SMILES: c1ccc(C2CNCCN2)cc1
InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N
분자식: C10H14N2
평균 분자량: 162.23 g/mol
단동위원소 질량: 162.11569845

이름 및 식별자

우선 이름: 2-Phenylpiperazine
IUPAC: 2-phenylpiperazine
영어명: 2-Phenylpiperazine
분자식: C10H14N2
분자량: 162.23

이름 및 동의어

2-PhenylpiperazineDTXSID60290682RefChem:478207DTXCID30241828627-379-0691-359-85271-26-12-phenyl-piperazineMFCD01871362PIPERAZINE, 2-PHENYL-3-PhenylpiperazineNSC70392

이름 더 보기

2-Phenylpiperizinem-phenylpiperazine2-Phenylpiperazine 97%2-Phenylpiperazine ISO 9001：2015 REACH

(RS)-2-phenylpiperazine2-Phenylpiperazine, 96%(2R)-2-Phenyl-piperazine(2S)-2-Phenyl-piperazineNCIOpen2_000459(+,-)-2-phenyl-piperazine(+/-)-3-phenyl piperazineSCHEMBL451612

데이터베이스 식별자

CAS: 5271-26-1
PubChem CID: 250673
DTXSID: DTXSID60290682
EC Number: 627-379-0
Nikkaji: J1.957.938G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 83 · 83-87 °C (lit.)
끓는 점: 138 °C · 138 °C
밀도: 0.997 · 0.997±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 8.8 · 8.80±0.40(Predicted)
물리적 상태: 고체
색상: 노란색
InChI: 1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2
InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N
SMILES: C1CNC(CN1)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.8%): 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, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 2
ridadr: UN3259
HS 번호: 29335990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Phenylpiperazine is the starting material for the synthesis of 2-phenylpiperazine compounds. It has been synthesized 1,4-dimethyl-2-phenylpiperazine, 1,4-diethyl-2-phenyl Piperazine etc.