Nitrocyclopentane

HCID 75714CAS 2562-38-1

기본 정보

표준 SMILES: O=[N+]([O-])C1CCCC1
InChIKey: CJSZWOGCKKDSJG-UHFFFAOYSA-N
분자식: C5H9NO2
평균 분자량: 115.13 g/mol
단동위원소 질량: 115.06332853

이름 및 식별자

우선 이름: Nitrocyclopentane
IUPAC: nitrocyclopentane
영어명: Nitrocyclopentane
분자식: C5H9NO2
분자량: 115.13

이름 및 동의어

NitrocyclopentaneCyclopentane, nitro-CCRIS 5057EINECS 219-884-6CJSZWOGCKKDSJG-UHFFFAOYSA-DTXSID00180295RefChem:166089DTXCID10102786219-884-6CJSZWOGCKKDSJG-UHFFFAOYSA-NInChI=1/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H22562-38-1

이름 더 보기

nitro-cyclopentan1-NitrocyclopentaneNITROCYCLOPENTANE, 97+%Nitrocyclopentane (NCyP)NITROCYCLOPENTANE ISO 9001：2015 REACH(1S,2S)-Methyl 2-aMinocyclopropanecarboxylate

NitrocyclopentaseMFCD00001362nitro-cyclopentaneNitrocyclopentane, 99%SCHEMBL264764SCHEMBL498638SCHEMBL7184730SCHEMBL8781626

데이터베이스 식별자

CAS: 2562-38-1
PubChem CID: 75714
DTXSID: DTXSID00180295
EC Number: 219-884-6
Nikkaji: J109.347I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 91.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 143 · 143-144 °C
끓는 점: 180 °C · 180 °C (lit.)
밀도: 1.086 g/mL · 1.086 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.454(lit.)
인화점: 153 °F · 153 °F
산도 계수 (pKa): 8.46 · 8.46±0.20(Predicted)
물리적 상태: liquid
BRN: 907079 · 907079
InChI: 1S/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
InChIKey: CJSZWOGCKKDSJG-UHFFFAOYSA-N
SMILES: [O-][N+](=O)C1CCCC1

화학적 성질

Clear pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 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 (13.3%)

안전 데이터

wgk: 3
rtecs: GY4657500
ridadr: 2810
HS 번호: 29042000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

일반 설명Nitrocyclopentane, a secondary nitroalkane, was examined for its ability to induce DNA repair in rat hepatocytes. The nitronate of nitrocyclopentane was mutagenic in Salmonella strains TA100 and TA102.

제조 방법 · 1건

Bromocyclopentane (22.0 g, 0.15 mol) was added to a soln of NaNO2 (18 g, 0.26 mol) in dry DMSO (100 mL) at 15 ℃ and the mixture was stirred at this temperature for 3 h. The mixture was poured into ice water (250 mL) and extracted with petroleum ether (bp 35-37 ℃; 4 × 50 mL). The combined organic extracts were washed with H2O (4× 50 mL), dried (MgSO4), and concentrated under reduced pressure. The residue was distilled to give Nitrocyclopentane; yield: 9.9 g (58%); bp 62 ℃/8 Torr; nD/20 1.4538. Synthesis of Nitrocyclopentane

상·하류 제품 정보

하류 제품

N-Cyclopentylhydroxylamine

공급사19 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

연결된 노트

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