CAS 60032-57-7 2-Methylpyridine-3-carbaldehyde (HCID 11083881)

기본 정보

CAS: 60032-57-7
표준 SMILES: Cc1ncccc1C=O
InChIKey: JHRPHASLIZOEBJ-UHFFFAOYSA-N
분자식: C7H7NO
평균 분자량: 121.14 g/mol
단동위원소 질량: 121.05276384

이름 및 식별자

우선 이름: 2-Methylpyridine-3-carbaldehyde
IUPAC: 2-methylpyridine-3-carbaldehyde
영어명: 2-METHYLNICOTINALDEHYDE
분자식: C7H7NO
분자량: 121.14

이름 및 동의어

2-Methylpyridine-3-carbaldehydeRefChem:476231633-135-42-methylnicotinaldehyde60032-57-72-METHYLPYRIDINE-3-CARBOXALDEHYDE3-Pyridinecarboxaldehyde, 2-methyl-MFCD082349112-Methyl-pyridine-3-carbaldehyde2-methyl nicotinaldehydeSCHEMBL3124492-Methylpyridine-3-carbox...

이름 더 보기

2-Methyl-3-Pyridinecarboxaldehyde2-METHYLNICOTINALDEHYDE ISO 9001：2015 REACH

SCHEMBL14645202-methyl-3-pyridinecarbaldehydeSCHEMBL299483332-methyl pyridine-3-carbaldehyde2-methyl-pyridine 3-carbaldehydeDTXSID90454518JHRPHASLIZOEBJ-UHFFFAOYSA-NCL0326

데이터베이스 식별자

CAS: 60032-57-7
PubChem CID: 11083881
DTXSID: DTXSID90454518
EC Number: 633-135-4

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

물리화학적 성질

녹는점: 242 °C · 242 °C (decomp)
끓는 점: 94 °C · 94 °C(Press: 12 Torr)
밀도: 1.106 g/mL · 1.106 g/mL at 25 °C
굴절률: 20 · n20/D1.549
인화점: 93 ℃ · 93℃
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 4.15 · 4.15±0.10(Predicted)
물리적 상태: 액체
색상: 옅은 노랑
InChI: 1S/C7H7NO/c1-6-7(5-9)3-2-4-8-6/h2-5H,1H3
InChIKey: JHRPHASLIZOEBJ-UHFFFAOYSA-N
SMILES: Cc1ncccc1C=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.