5-트리플루오로메틸-1,3,4-옥사디아졸-2-일라민

5-(Trifluoromethyl)-1,3,4-oxadiazol-2-amine

HCID 522630CAS 768-29-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nnc(C(F)(F)F)o1
InChIKey: VMBAPDLMDFSJBH-UHFFFAOYSA-N
분자식: C3H2F3N3O
평균 분자량: 153.06 g/mol
단동위원소 질량: 153.01499634

이름 및 식별자

우선 이름: 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-amine
IUPAC: 5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine
현지명: 5-트리플루오로메틸-1,3,4-옥사디아졸-2-일라민
영어명: 5-TRIFLUOROMETHYL-1,3,4-OXADIAZOL-2-YLAMINE
분자식: C3H2F3N3O
분자량: 153.06

이름 및 동의어

5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine768-29-6DTXSID70335018RefChem:300722DTXCID20286107687-019-32-Amino-5-(trifluoromethyl)-1,3,4-oxadiazoleC3H2F3N3OMFCD080625812-Amino-5-trifluoromethyl-1,3,4-oxadiazole5-trifluoromethyl-1,3,4-oxadiazol-2-ylamine1,3,4-Oxadiazole, 2-amino-5-(trifluoromethyl)-

이름 더 보기

5-트리플루오로메틸-1,3,4-옥사디아졸-2-일라민Albb-0058632-AMino-5-(trifluoroMethyl)-1,3,4-oxadiazole 97%5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)

AC9049SY065072CS-0079626EN300-170577F2182-01195-(trifluoromethyl)-1,3,4-oxadiazole-2-ylamine5-Trifluoromethyl-[1,3,4]oxadiazol-2-ylamine1,3,4-Oxadiazol-2-amine, 5-(trifluoromethyl)-

데이터베이스 식별자

CAS: 768-29-6
PubChem CID: 522630
DTXSID: DTXSID70335018
EC Number: 687-019-3
Nikkaji: J2.310.848H

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 64.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 155 · 155-160°C
끓는 점: 145.3 · 145.3±50.0 °C(Predicted)
밀도: 1.62 · 1.620±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.91 · -2.91±0.13(Predicted)
물리적 상태: solid
InChI: 1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
InChIKey: VMBAPDLMDFSJBH-UHFFFAOYSA-N
SMILES: Nc1nnc(o1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 1
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2934999090
risk_code: 25
hazard_code: T
safety_code: 45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects