Bicyclo[2.2.1]heptane-2-carbaldehyde

HCID 86864CAS 19396-83-9

기본 정보

표준 SMILES: O=CC1CC2CCC1C2
InChIKey: UAQYREPFSVCDHT-UHFFFAOYSA-N
분자식: C8H12O
평균 분자량: 124.18 g/mol
단동위원소 질량: 124.088815

이름 및 식별자

우선 이름: Bicyclo[2.2.1]heptane-2-carbaldehyde
IUPAC: bicyclo[2.2.1]heptane-2-carbaldehyde
영어명: Norbornane-2-carboxaldehyde
분자식: C8H12O
분자량: 124.18

이름 및 동의어

Bicyclo[2.2.1]heptane-2-carbaldehydeBicyclo[2.2.1]heptane-2-carboxaldehydeBicyclo(2.2.1)heptane-2-carbaldehydeEINECS 243-025-4DTXSID90941094Bicyclo(2.2.1)heptane-2-carboxaldehydeRefChem:568153DTXCID001369540243-025-419396-83-9Norbornane-2-CarboxaldehydeMFCD01318318

이름 더 보기

ART-CHEM-BB B0142972-NorbornanecarbaldehydeBICYCLO[2,2,1]HEPTANE-2-CARBOXALDEHYDE

norbornane-2-carbaldehyde2-Formylnorbornane3574-55-82-formylbicyclo[2.2.1]heptaneNSC1105843574-54-7Z1079442802Bicyclo[2.2.1]heptane-2-carboxaldehyde, (1R,2R,4S)-rel-

데이터베이스 식별자

CAS: 19396-83-9、3574-54-7
PubChem CID: 86864
DTXSID: DTXSID90941094
EC Number: 243-025-4
Nikkaji: J242.798B

물성

구조 계산 물성

XLogP: 1.7
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: 131

물리화학적 성질

끓는 점: 75 · 75-76℃ (25 Torr)
밀도: 1.0227 · 1.0227
굴절률: 1.476 · 1.4760
저장 조건: -20 °C, · -20°C, stored under nitrogen
InChI: InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2
InChIKey: UAQYREPFSVCDHT-UHFFFAOYSA-N
SMILES: C12CC(CC1)CC2C=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.