3-Ethynylpyridine

HCID 186003CAS 121697-66-3

기본 정보

표준 SMILES: C#Cc1cccnc1
InChIKey: CLRPXACRDTXENY-UHFFFAOYSA-N
분자식: C7H5N
평균 분자량: 103.12 g/mol
단동위원소 질량: 103.04219916

이름 및 식별자

우선 이름: 3-Ethynylpyridine
IUPAC: 3-ethynylpyridine
영어명: 3-ETHYNYLPYRIDINE
분자식: C7H5N
분자량: 103.12

이름 및 동의어

3-ethynylpyridinepyridine, 3-ethynyl-121697-66-3DTXSID70947958RefChem:93886DTXCID401376206628-508-3838-945-3InChI=1/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-62510-23-83-PyridylacetyleneMFCD02177459

이름 더 보기

3-Ethylnyl Pyridine3-Ethynylpyridine>Pyridine, 3-ethynyl-3-Ethynylpyridine,96%3-Ethynylpyridine 98%3-Ethynylpyridine, 97.5%3-Ethynylpyridine, 96% 1GR3-ETHYNYLPYRIDINE ISO 9001：2015 REACHPyridine, 3-ethynyl- (6CI, 7CI, 8CI, 9CI)

3-ethynyl-pyridineCHEMBL3946303-Pyridinylacetylene; 3-Pyridylacetylene; 3-Pyridylethyne3-ethynyl pyridinemeta-ethynylpyridine3-pyridyl acetylene3-(ethynyl)pyridinepyridin-3-ylacetylene

데이터베이스 식별자

CAS: 121697-66-3、2510-23-8
PubChem CID: 186003
DTXSID: DTXSID70947958
ChEMBL: CHEMBL394630
EC Number: 628-508-3、838-945-3
Nikkaji: J733.113D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 109

물리화학적 성질

녹는점: 39 · 39-40 °C (lit.)
끓는 점: 83 · 83-84 °C/30 mmHg (lit.)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
인화점: 134 °F · 134 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 3.71 · 3.71±0.10(Predicted)
물리적 상태: 저융점 고체
색상: 무색~갈색
InChI: InChI=1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H
InChIKey: CLRPXACRDTXENY-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1C#C

화학적 성질

Colorless to brownish low melting solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H228 (100%): Flammable solid [Danger Flammable solids]