3-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amine

HCID 2060032CAS 106259-87-4

기본 정보

표준 SMILES: Cc1cc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIKey: ABLOGSPAFQBNMG-UHFFFAOYSA-N
분자식: C10H8Cl3N3
평균 분자량: 276.5 g/mol
단동위원소 질량: 274.9783803

이름 및 식별자

우선 이름: 3-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amine
IUPAC: 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
영어명: 5-Methyl-2-(2,4,6-trichlorophenyl)-2H-pyrazol-3-ylamine
분자식: C10H8Cl3N3
분자량: 276.55

이름 및 동의어

106259-87-43-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amineDTXSID80366131RefChem:280602DTXCID103171715-methyl-2-(2,4,6-trichlorophenyl)-2h-pyrazol-3-ylamine5-Methyl-2-(2,4,6-trichlorophenyl)-2H-pyrazol-3-yl amine5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine1H-Pyrazol-5-amine,3-methyl-1-(2,4,6-trichlorophenyl)-MFCD030937853-amino-2-(2,4,6-trichlorophenyl)-5-methylpyrazoleSCHEMBL5826687

이름 더 보기

5-AMINO-3-METHYL-1-(2,4,6-TRICHLOROPHENYL)PYRAZOLE5-Methyl-2-(2,4,6-trichlorophenyl)-2H-pyrazol-3-yl5-METHYL-2-(2,4,6-TRICHLOROPHENYL)PYRAZOL-3-YL-AMINE1-(2,4,6-trichlorophenyl)-3-methyl-1H-pyrazol-5-amine1H-Pyrazol-5-amine, 3-methyl-1-(2,4,6-trichlorophenyl)-2-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,2,4-triazole-3-carboxylate

ABLOGSPAFQBNMG-UHFFFAOYSA-NAKOS001047414FS-6349CS-0339539F79930F005968SR-01000041870SR-01000041870-1

데이터베이스 식별자

CAS: 106259-87-4
PubChem CID: 2060032
DTXSID: DTXSID80366131
EC Number: 670-619-4

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 241

물리화학적 성질

끓는 점: 419.2 · 419.2±45.0 °C(Predicted)
밀도: 1.57 · 1.57±0.1 g/cm3(Predicted)
산도 계수 (pKa): 2.72 · 2.72±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, P317, 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.