(1-메틸-1H-[1,2,4]트리아졸-3-일)-메탄올

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol

HCID 10351670

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 135242-93-2
표준 SMILES: Cn1cnc(CO)n1
InChIKey: WEDYTSQNYJKOPC-UHFFFAOYSA-N
분자식: C4H7N3O
평균 분자량: 113.12 g/mol
단동위원소 질량: 113.05891184

이름 및 식별자

우선 이름: (1-Methyl-1H-1,2,4-triazol-3-yl)methanol
IUPAC: (1-methyl-1,2,4-triazol-3-yl)methanol
현지명: (1-메틸-1H-[1,2,4]트리아졸-3-일)-메탄올
영어명: (1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol
분자식: C4H7N3O
분자량: 113.12

이름 및 동의어

135242-93-2(1-methyl-1H-1,2,4-triazol-3-yl)methanolDTXSID00438445RefChem:204591DTXCID60389267836-371-8(1-Methyl-1H-[1,2,4]triazol-3-yl)methanol(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol(1-methyl-1,2,4-triazol-3-yl)methanolMFCD167102961H-1,2,4-Triazole-3-methanol, 1-methyl-1-METHYL-1H-1,2,4-TRIAZOLE-3-METHANOL

이름 더 보기

(1-메틸-1H-[1,2,4]트리아졸-3-일)-메탄올1-methyl-1,2,4-triazol-3-yl)methanol1-Methyl-3-hydroxymethyl-1H-1,2,4-triazole(1-METHYL-1H-1,2,4- TRIAZOLE -3-YL)METHANOL3-(HYDROXYMETHYL)-1-METHYL-1H-1,2,4-TRIAZOLE(1-Methyl-1H-[1,2,4]Triazol-3-yl)-Methanol,>95%(1-Methyl-1H-1,2,4-triazol-3-yl)-methanol, 97%min

3-hydroxymethyl-1-methyl-1,2,4-triazoleFJH4GW3KBTSCHEMBL943196SCHEMBL5266566SCHEMBL7665266WEDYTSQNYJKOPC-UHFFFAOYSA-NALBB-035019AKOS005765977

데이터베이스 식별자

CAS: 135242-93-2
PubChem CID: 10351670
DTXSID: DTXSID00438445
UNII: FJH4GW3KBT
EC Number: 836-371-8

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 77.7

물리화학적 성질

끓는 점: 296.8 · 296.8±42.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 13.16 · 13.16±0.10(Predicted)
InChI: InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3
InChIKey: WEDYTSQNYJKOPC-UHFFFAOYSA-N
SMILES: N1(C)C=NC(CO)=N1

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)

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.