노르보넨-2-카복시알데히드

Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde

HCID 95117CAS 5453-80-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=CC1CC2C=CC1C2
InChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-N
분자식: C8H10O
평균 분자량: 122.16 g/mol
단동위원소 질량: 122.07316494

이름 및 식별자

우선 이름: Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde
IUPAC: bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
현지명: 노르보넨-2-카복시알데히드
영어명: 5-Norbornene-2-carboxaldehyde
분자식: C8H10O
분자량: 122.16

이름 및 동의어

5-Norbornene-2-carboxaldehyde5453-80-5Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde2-Formyl-5-norbornene5-Formylbicyclohept-2-ene5-Norbornane-2-carboxaldehydeEINECS 226-698-9NSC 188975-Formylbicyclo-2-hepteneAI3-10023Bicyclo(2.2.1)hept-5-ene-2-carboxaldehydeDTXSID20884162

이름 더 보기

노르보넨-2-카복시알데히드5-노보넨-2-카복스알데하이드5-노보넨-2-카르복스알데히드5-NORBORNENE-2-CARBALDEHYDEAKOS BC-0598TIMTEC-BB SBB0057555-Formyl-2-norbornene.2-Formylnorborna-5-ene2- aldehyde 5-norbornene

Bicyclo[2.2.1]hept-5-en-2-aldehydeBicyclo[2.2.1]-5-hepten-2-yl-methanalBicyclo(2.2.1)hept-5-en-2-aldehydeBicyclo(2.2.1)-5-hepten-2-yl-methanalRefChem:119674DTXCID901001719AJIBZRIAUXVGQJ-UHFFFAOYSA-NBicyclo[2.2.1]hept-5-ene-2-carbaldehyde

데이터베이스 식별자

CAS: 5453-80-5
PubChem CID: 95117
DTXSID: DTXSID20884162
ChEMBL: CHEMBL4549018
EC Number: 226-698-9
Nikkaji: J218F

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 67 · 67-70 °C12 mm Hg(lit.)
밀도: 1.03 g/mL · 1.03 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.490(lit.)
인화점: 123 °F · 123 °F
저장 조건: Flammables area
물리적 상태: 가루
Specific Gravity: 1.032 · 1.032
색상: 흰색에서 노란색, 베이지색으로
수용성: 불용성
BRN: 1363813 · 1363813
InChI: InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2
InChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-N
SMILES: C12CC(C=C1)CC2C=O
NIST: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde(5453-80-5)
EPA: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde (5453-80-5)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1989 3/PG 3
HS 번호: 29122990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 23-37/39-26-16
포장분류: III
위험 등급: 3
기존화학 물질: 2010-3-4252
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-carboxaldehyde: INACTIVE

응용 분야 · 1건

용도5-Norbornene-2-carboxaldehyde was used in transition metal-catalyzed synthesis of norbornene-derived homopolymers having pendent t-Boc-protected quinizarin moieties for patterned fluorescence images. It acts as Diels-Alder adduct of acrolein and cyclopentadiene. It can be used as protected form of acrolein, from which the double bond may be liberated by cycloreversion, e.g. in a useful synthesis of 2-vinylimidazole.