3,6-Dibromopyridazine

HCID 248852CAS 17973-86-3

기본 정보

표준 SMILES: Brc1ccc(Br)nn1
InChIKey: VQAFMTSSCUETHA-UHFFFAOYSA-N
분자식: C4H2Br2N2
평균 분자량: 237.88 g/mol
단동위원소 질량: 235.85847226

이름 및 식별자

우선 이름: 3,6-Dibromopyridazine
IUPAC: 3,6-dibromopyridazine
영어명: 3,6-Dibromopyridazide
분자식: C4H2Br2N2
분자량: 237.88

이름 및 동의어

3,6-dibromopyridazineDTXSID70290072RefChem:487509DTXCID40241218687-847-517973-86-33,6-DibromopyridazidePyridazine, 3,6-dibromo-MFCD002339473,6-dibromo-pyridazine3,6-Dibromo pyridazineCS-W019835

이름 더 보기

3,6-Dibromo-1,2-diazine3,6-Dibromopyridazine ,97%3,6-Dibromopyridazine, CAS 17973-86-33,6-Dibromopyridazide ISO 9001：2015 REACH

PS-4502AC-25272HY-59234SY009350EN300-87121BCP19349NSC66366AM20090061

데이터베이스 식별자

CAS: 17973-86-3
PubChem CID: 248852
DTXSID: DTXSID70290072
EC Number: 687-847-5
Nikkaji: J2.380.591J

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 68.4

물리화학적 성질

녹는점: 116 °C · 116 °C
끓는 점: 327.5 · 327.5±22.0 °C(Predicted)
밀도: 2 · 2+-.0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -1.18 · -1.18±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 연한 노란색
InChI: InChI=1S/C4H2Br2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey: VQAFMTSSCUETHA-UHFFFAOYSA-N
SMILES: C1(Br)=NN=C(Br)C=C1

화학적 성질

Grey yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38-20/21/22-22
hazard_code: Xn
safety_code: 26-36/37/39-22-37/39-36/37-24/25
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,6-dibromopyridazine is an important intermediate in organic synthesis. It is mainly used in pharmaceutical intermediates, organic synthesis, organic solvents, and can also be used in dye production, pesticide production and perfumery.

제조 방법 · 1건

3,6-dibromopyridazine for Synthesis: A mixture of maleic hydrazide (1.1 g, 10 mmol) and PBr5 (4.7 g, 11 mmol) was heated at 100 °C until no more white fumes of hydrogen bromide were produced (~2 h). After cooling, the orange residue was poured into ice water and the resulting mixture was extracted with CH2Cl2 (3 x 20 mL). The organic layer was washed with saturated aqueous NaHCO3, dried over MgSO4, filtered and concentrated. The crude product was purified by flash column chromatography on silica gel (CH2Cl2) to give 3,6-dibromopyridazine as a white solid (1.20 g, 50%).