CAS 77992-44-0 5-Bromo-2-hydrazinopyridine (HCID 11535699)

기본 정보

CAS: 77992-44-0
표준 SMILES: NNc1ccc(Br)cn1
InChIKey: QYQLEYTXFMOLEI-UHFFFAOYSA-N
분자식: C5H6BrN3
평균 분자량: 188.03 g/mol
단동위원소 질량: 186.97450929

이름 및 식별자

우선 이름: 5-Bromo-2-hydrazinopyridine
IUPAC: (5-bromo-2-pyridinyl)hydrazine
영어명: 5-Bromo-2-hydrazinopyridine
분자식: C5H6BrN3
분자량: 188.03

이름 및 동의어

5-Bromo-2-hydrazinopyridineRefChem:533231684-988-477992-44-0(5-bromopyridin-2-yl)hydrazine5-bromo-2-hydrazinylpyridine(5-Bromo-pyridin-2-yl)-hydrazine(5-bromo-2-pyridyl)hydrazineMFCD005134245-bromo-pyridin-2-yl-hydrazine2-Hydrazino-5-bromopyridinePYRIDINE, 5-BROMO-2-HYDRAZINO-

이름 더 보기

5-bromo-2-hydrazineylpyridine5-Brom-2-hydrazinylpyridin5-Bromo-2-hydrazinepyridinePyridine,5-bromo-2-hydrazinyl-5-broMo-2-hydrazinylpyriMidineN-(5-Bromo-2-pyridyl)hydrazine

2(1H)-Pyridinone, 5-bromo-, hydrazone5-bromo-2-pyridylhydrazine5-bromopyridin-2-ylhydrazineSCHEMBL2465075bromo-pyridin-2-yl-hydrazine5-Bromopyridin-2-yl-hydrazine5-Bromo-Pyrdin-2-yl-hydrazineSCHEMBL12874142

데이터베이스 식별자

CAS: 77992-44-0
PubChem CID: 11535699
DTXSID: DTXSID10468177
EC Number: 684-988-4
Nikkaji: J1.615.232C

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 88.3

물리화학적 성질

녹는점: 132 to · 132.0 to 136.0 °C
끓는 점: 238.2 · 238.2±50.0 °C(Predicted)
밀도: 1.82 · 1.82±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: powder to crystal
산도 계수 (pKa): 8.97 · 8.97±0.70(Predicted)
색상: White to Light yellow to Light orange
InChI: 1S/C5H6BrN3/c6-4-1-2-5(9-7)8-3-4/h1-3H,7H2,(H,8,9)
InChIKey: QYQLEYTXFMOLEI-UHFFFAOYSA-N
SMILES: NNc1ccc(Br)cn1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 2933399990
risk_code: 25-37/38-41
hazard_code: Xi,T
safety_code: 26-36-45
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도5-Bromo-2-hydrazinopyridine serves as a derivatization reagent for the simultaneous LC-MS analysis of carboxyl and carbonyl-containing metabolites in biofluids[3]. The compound acts as a precursor for synthesizing L1 from 9,10-phenanthrene quinone, hydrazone intermediates from carbonyl compounds, and 5-bromo-7-azaindole derivatives via Fischer cyclization[1][2].