CAS 1007513-29-2 (1-(propan-2-yl)-1H-pyrazol-3-yl)methanol (HCID 23005538)

기본 정보

CAS: 1007513-29-2
표준 SMILES: CC(C)n1ccc(CO)n1
InChIKey: ZSTOEPVCZPKMDO-UHFFFAOYSA-N
분자식: C7H12N2O
평균 분자량: 140.18 g/mol

이름 및 식별자

우선 이름: (1-(propan-2-yl)-1H-pyrazol-3-yl)methanol
IUPAC: (1-propan-2-ylpyrazol-3-yl)methanol
영어명: (1-isopropyl-1H-pyrazol-3-yl)methanol
분자식: C7H12N2O
분자량: 140.18

이름 및 동의어

1007513-29-2[1-(propan-2-yl)-1H-pyrazol-3-yl]methanol(1-(propan-2-yl)-1H-pyrazol-3-yl)methanolRefChem:391920817-885-1(1-isopropyl-1H-pyrazol-3-yl)methanol(1-ISOPROPYLPYRAZOL-3-YL)METHANOLMFCD08700513(1-propan-2-ylpyrazol-3-yl)methanol[1-(methylethyl)pyrazol-3-yl]methan-1-olSCHEMBL1064984ZSTOEPVCZPKMDO-UHFFFAOYSA-N

이름 더 보기

1-(propan-2-yl)-1h-pyrazol-3-yl]methanol1H-Pyrazole-3-methanol, 1-(1-methylethyl)-

HQB51329SBB073688AKOS003673785AT14467(1-Isopropyl-1H-pyrazol-3-yl)-methanolCS-0215306ST51061606EN300-232615

데이터베이스 식별자

CAS: 1007513-29-2
PubChem CID: 23005538
EC Number: 817-885-1

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 106

물리화학적 성질

끓는 점: 249.8 · 249.8±15.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
산도 계수 (pKa): 13.58 · 13.58±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.