(Pyrimidin-5-yl)methanol

HCID 15466386

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25193-95-7
표준 SMILES: OCc1cncnc1
InChIKey: TYRDEZUMAVRTEO-UHFFFAOYSA-N
분자식: C5H6N2O
평균 분자량: 110.11 g/mol
단동위원소 질량: 110.04801282

이름 및 식별자

우선 이름: (Pyrimidin-5-yl)methanol
IUPAC: pyrimidin-5-ylmethanol
영어명: 5-Pyrimidinemethanol
분자식: C5H6N2O
분자량: 110.11

이름 및 동의어

5-Pyrimidinemethanol25193-95-7(pyrimidin-5-yl)methanolDTXSID50573017RefChem:406922DTXCID00523789690-842-05-(Hydroxymethyl)pyrimidinepyrimidin-5-ylmethanolMFCD037896235-hydroxymethylpyrimidinepyrimidine-5-methanol

이름 더 보기

RARECHEM AK ML 05665-(Hydroxymethyl)pyrimidi...5-Pyrimidinemethanol (7CI,9CI)5-(Hydroxymethyl)pyrimidine 97%(PYRIMIDIN-5-YL)METHANOL,PURITY

5-pyrimidinylmethanolpyrimidin-5-yl-methanol5-pyrimidylmethyl alcoholpyrimidin-5-ylmethan-1-olSCHEMBL456193SCHEMBL456194SCHEMBL27729879TYRDEZUMAVRTEO-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 25193-95-7
PubChem CID: 15466386
DTXSID: DTXSID50573017
EC Number: 690-842-0
Nikkaji: J1.485.956J

물성

구조 계산 물성

XLogP: -1.2
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

녹는점: 51 · 51-52 °C
끓는 점: 250.8 · 250.8±15.0 °C(Predicted)
밀도: 1.227 · 1.227±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 13.43 · 13.43±0.10(Predicted)
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

안전 데이터

HS 번호: 2933599590

화학 및 산업

응용 분야

용도5-Pyrimidinemethanol is a reagent used in the synthesis of melanin-concentrating hormone receptor 1 antagonists.Also used in the preparation of annulated 5-aryl-substituted pyridines.