Piconol (HCID 11474)

개요

2-Pyridinylmethanol is a member of pyridines.

이름 및 식별자

우선 이름: Piconol
IUPAC: pyridin-2-ylmethanol
현지명: 2-피리딘 메탄올
영어명: 2-(Hydroxymethyl)pyridine
분자식: C6H7NO
분자량: 109.13

이름 및 동의어

2-PYRIDINEMETHANOLpyridin-2-ylmethanolPiconol2-PyridylmethanolPyridine-2-methanol2-Pyridyl carbinolPiconol [INN]Piconolum [Latin]DTXSID8046531UNII-7HQ8UT1TPS7HQ8UT1TPSEINECS 209-592-7

이름 더 보기

2-피리딜카비놀2-피리딘메탄올2-하이드록시메틸피리딘2-Pyridine(S)-Tryptophan Methyl ester hydrochloridePyridineMethanol2-PYRIDINYLMETHANOLPYRIDIN-2-YL-METHANOL2-Pyridine methanol(2-hydromethyl pyridine)

NSC-760363BRN 0107849DTXCID60265315-21-02-00150 (Beilstein Handbook Reference)Piconolum (Latin)NSC 7603632pyridylcarbinol2pyridylmethanol

데이터베이스 식별자

CAS: 586-98-1
PubChem CID: 11474
DTXSID: DTXSID8046531
ChEMBL: CHEMBL2103981
ChEBI: CHEBI:195070
UNII: 7HQ8UT1TPS
EC Number: 209-592-7
Nikkaji: J32.889H

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesSurface tension

LogP0.06

Vapor Pressure0.02 [mmHg]

Physical DescriptionClear hygroscopic liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 5 °C · 5 °C
끓는 점: 112 · 112-113 °C/16 mmHg (lit.)
밀도: 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
증기압: 3.47 Pa · 3.47Pa at 25℃
굴절률: 20 · n20/D 1.543(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 물과 섞임
물리적 상태: 액체
산도 계수 (pKa): 13.48 · 13.48±0.10(Predicted)
색상: 무색 내지 황색 또는 갈색의 투명한
Specific Gravity: 1.131 · 1.131
수소이온지수(pH): 6 · 6-8 (100g/l, H2O, 20℃)
냄새: 피리딘 냄새
수용성: 혼용 가능
BRN: 107849 · 107849
InChI: 1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N
SMILES: OCc1ccccn1
LogP: 0.11 · 0.11
NIST: Piconol(586-98-1)

화학적 성질

CLEAR COLORLESS TO YELLOW OR BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87.7%): 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 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 12-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19922

2-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 1,000 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (87.7%)

안전 데이터

wgk: 3
rtecs: UT4689000
HS 번호: 29333999
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 등급: IRRITANT, HYGROSCOPIC, KEEP COLD
F 고인화성물질: 3-8
위험 참고 사항: Irritant/Keep Cold/Hygroscopic
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도decongestant

제조 방법 · 1건

The preparation of 2-(Hydroxymethyl)pyridine is as follows:NaOH (0.5 g, 12.5 mmol), Al2O3 (2.0 g, 19.6 mmol), aldehyde 1f-g (2 mmol) and H2O (400 μL) were grinded in a mortar. Next, the paste were placed in a glass 10 mL pressure vials and reaction was carried out in microwave reactor: standard mode (200 W), 100 °C, 2 min. After that, reaction mixture was extracted with DCM (2 × 20 mL). Organic layer was evaporated under reduce pressure yielding 2f-g. Solid residue was washed by water (2 × 15 mL). Aqueous phase was acidify with 1N HCl to pH 5.5 and centrifuged. After that aqueous layer was pour down and precipitate was lyophilisated. Products 3f-g were obtained as white solids.