6-Bromopyridine-2-carboxamide

HCID 21961408CAS 25194-52-9

기본 정보

표준 SMILES: NC(=O)c1cccc(Br)n1
InChIKey: HWRUOHMDYQEWOD-UHFFFAOYSA-N
분자식: C6H5BrN2O
평균 분자량: 201.02 g/mol
단동위원소 질량: 199.95852488

이름 및 식별자

우선 이름: 6-Bromopyridine-2-carboxamide
IUPAC: 6-bromopyridine-2-carboxamide
영어명: 6-Bromopyridine-2-carboxamide 98%
분자식: C6H5BrN2O
분자량: 201.02

이름 및 동의어

25194-52-96-Bromopyridine-2-carboxamideDTXSID50620853RefChem:541280DTXCID80571607681-785-26-Bromopicolinamide6-Bromopyridine-2-carboxylic acid amide2-PYRIDINECARBOXAMIDE, 6-BROMO-MFCD00234154SCHEMBL2825924AKOS005255227

이름 더 보기

1. 6-broMopicolinaMide6-Bromopyridine-2-carboxami6-Bromopyridine-2-formamide6-Bromo-2-pyridinecarboxamide6-Bromopyridine-2-carboxamide98%6-Bromopyridine-2-carboxamide 98%6-Bromopyridine-2-carboxamide 98%

MB00999PS-3465CS-0089806EN300-1232741Z11163151176-Bromo-pyridine-2-carboxylic acid amide6-Bromo-2-carbamoylpyridineAMY6530

데이터베이스 식별자

CAS: 25194-52-9
PubChem CID: 21961408
DTXSID: DTXSID50620853
EC Number: 681-785-2

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 56 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 133 · 133-138°C
끓는 점: 338.1 · 338.1±27.0 °C(Predicted)
밀도: 1.71 · 1.710±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 14.45 · 14.45±0.50(Predicted)
InChI: 1S/C6H5BrN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey: HWRUOHMDYQEWOD-UHFFFAOYSA-N
SMILES: NC(=O)c1cccc(Br)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.