Cyclopentanecarbaldehyde

HCID 70106CAS 872-53-7

기본 정보

표준 SMILES: O=CC1CCCC1
InChIKey: VELDYOPRLMJFIK-UHFFFAOYSA-N
분자식: C6H10O
평균 분자량: 98.14 g/mol
단동위원소 질량: 98.07316494

이름 및 식별자

우선 이름: Cyclopentanecarbaldehyde
IUPAC: cyclopentanecarbaldehyde
영어명: Cyclopentanecarbaldehyde
분자식: C6H10O
분자량: 98.14

이름 및 동의어

Cyclopentanecarbaldehyde872-53-7CyclopentanecarboxaldehydeEINECS 212-829-7DTXSID10236176NSC 17492RefChem:580974DTXCID10158667212-829-7CyclopentanealdehydeFormylcyclopentaneMFCD00060798

이름 더 보기

CYCLOPENTANCARBALDEHYDEopentanecarboxaLRARECHEM AK ML 0065CYCLOPENTYLMETHANALCyclopentyl aldehyde

CyclopentylformaldehydecyclopentanecaboxaldehydeCHEMBL274711NSC-17492C3019EN300-57255Cyclopentanecarboxaldehyde (stabilized with HQ)cyclopentancarbaldehyd

데이터베이스 식별자

CAS: 872-53-7
PubChem CID: 70106
DTXSID: DTXSID10236176
ChEMBL: CHEMBL274711
UNII: 8AE23T4KWE
EC Number: 212-829-7
Nikkaji: J79.991B

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 62.6

물리화학적 성질

끓는 점: 140 · 140-141 °C (lit.)
밀도: 0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4430(lit.)
인화점: 83 °F · 83 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됨
물리적 상태: 액체
색상: 무색투명~연황색
수용성: 물과 에탄올에 용해됨
InChI: InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2
InChIKey: VELDYOPRLMJFIK-UHFFFAOYSA-N
SMILES: C1(C=O)CCCC1
NIST: Cyclopentanecarboxaldehyde(872-53-7)

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (17%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (17%)

안전 데이터

wgk: 3
ridadr: UN 1989 3/PG 3
HS 번호: 29122990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36-37/39
포장분류: III
위험 등급: 3
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도Cyclopentanecarboxaldehyde may be used in the synthesis of:D,L-trans-2-cyclopentylmethylene-1-nitroso-1-(2-hydroxycyclohexyl)hydrazineethyl 5-cyclopentyl-5-hydroxy-2-pentenoateethyl 3-cyclo entyl-3-hydroxy-2-vinylpropanoate

일반 설명Cyclopentanecarboxaldehyde can be prepared from cyclohexene, via copper-catalyzed oxidation with persulfate. It can also be synthesized from mercuric sulfate and cyclohexene.