2-Pyrimidinemethanol

HCID 2763024

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 42839-09-8
표준 SMILES: OCc1ncccn1
InChIKey: HZGCZRCZOMANHK-UHFFFAOYSA-N
분자식: C5H6N2O
평균 분자량: 110.11 g/mol
단동위원소 질량: 110.04801282

이름 및 식별자

우선 이름: 2-Pyrimidinemethanol
IUPAC: pyrimidin-2-ylmethanol
영어명: 2-Pyrimidinemethanol
분자식: C5H6N2O
분자량: 110.11

이름 및 동의어

2-PYRIMIDINEMETHANOL42839-09-8(pyrimidin-2-yl)methanolDTXSID20376673RefChem:483438DTXCID20327701824-123-1Pyrimidin-2-ylmethanol2-(Hydroxymethyl)pyrimidineMFCD067962012-(hydroxymethyl)-Pyrimidine2-Pyrimidine-methanol

이름 더 보기

2-(Hydroxymethyl)pyrimidi...2-Pyrimidinemethanol ISO 9001：2015 REACH(PYRIMIDIN-2-YL)METHANOL,PURITY:95% MIN(HPLC)

2-Hydroxymethylpyrimidine2-Pyrimidinemethanol (7CI,9CI)pyrimidin-2ylmethanolPyriMidin-2-ylMetharolpyrimidin-2-yl-methanol2-pyrimidylmethyl alcoholSCHEMBL239378SCHEMBL245143

데이터베이스 식별자

CAS: 42839-09-8
PubChem CID: 2763024
DTXSID: DTXSID20376673
ChEBI: CHEBI:228278
EC Number: 824-123-1
Nikkaji: J1.928.833A

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 46 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 61

물리화학적 성질

끓는 점: 198.2 · 198.2±23.0 °C(Predicted)
밀도: 1.227 · 1.227±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 100 mg/ml; PBS (pH 7.2): 10 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): 13.61 · 13.61±0.10(Predicted)
색상: Colorless to light yellow

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.