2,6-Dichloro-4-(trifluoromethyl)nicotinamide

HCID 2736874CAS 158063-67-3

기본 정보

표준 SMILES: NC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl
InChIKey: KPMYDDLYJBPUEY-UHFFFAOYSA-N
분자식: C7H3Cl2F3N2O
평균 분자량: 259.01 g/mol
단동위원소 질량: 257.95745274

이름 및 식별자

우선 이름: 2,6-Dichloro-4-(trifluoromethyl)nicotinamide
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
영어명: 2,6-DICHLORO-4-(TRIFLUOROMETHYL)NICOTINAMIDE
분자식: C7H3Cl2F3N2O
분자량: 259.01

이름 및 동의어

2,6-dichloro-4-(trifluoromethyl)nicotinamide158063-67-3DTXSID20371668RefChem:445402DTXCID30322702692-327-62,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamideMFCD00173903C7H3Cl2F3N2O3-Pyridinecarboxamide, 2,6-dichloro-4-(trifluoromethyl)-2,6-dichloro-4-(trifluoromethyl)nicotinamide 97%SCHEMBL565623

이름 더 보기

Nicotinamide Impurity 562,6-chloro-4-trifluoromethylamide2,6-Dichloro-4-(trifluoromethyl)nicotinamide97%2,6-Dichloro-4-(trifluoromethyl)nicotinamide 95+%

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide97%2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide 97%SBB102107AKOS005146068AS-5630SY3794502,6-Dichloro-4-trifluoromethyl-nicotinamideCS-0186520

데이터베이스 식별자

CAS: 158063-67-3
PubChem CID: 2736874
DTXSID: DTXSID20371668
EC Number: 692-327-6

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 56 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 261

물리화학적 성질

녹는점: 198 · 198-200°C
끓는 점: 267 ℃ · 267℃
밀도: 1.631 · 1.631
인화점: 115 ℃ · 115℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 13.36 · 13.36±0.50(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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.