2-Amino-3,5-dibromopyrazine (HCID 620004)

이름 및 식별자

우선 이름: 2-Amino-3,5-dibromopyrazine
IUPAC: 3,5-dibromopyrazin-2-amine
영어명: 2-Amino-3,5-dibromopyrazine
분자식: C4H3Br2N3
분자량: 252.89

이름 및 동의어

2-Amino-3,5-dibromopyrazine24241-18-7DTXSID50347316RefChem:463598DTXCID40298388628-514-63,5-dibromopyrazin-2-amine3,5-Dibromo-2-pyrazinamineAmino-3,5-dibromopyrazine3,5-Dibromopyrazin-2-ylamineMFCD006731503,5-Dibromopyrazine-2-ylamine

이름 더 보기

2-AMINO-3,5-DIBROMOPYRAZIN2-Amino-3,5-dibromop3,5-dibromo-2-aminopAlprostadil Impurity 165-dibromo-2-aminopyrazine

2,6-dibromopyrazin-3-amine3,5-DIBROMO-2-AMINOPYRAZINE2-Amino-3,5-dibromopyrazine;2-Amino-3,5-dibromopyrazinePyrazinamine, 3,5-dibromo-3,5-dibromopyrazine-2-amine2-amino-3,5-dibromo pyrazine2-amino-dibromopyrazineSCHEMBL41047

데이터베이스 식별자

CAS: 24241-18-7
PubChem CID: 620004
DTXSID: DTXSID50347316
EC Number: 628-514-6
Nikkaji: J1.282.790C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.8

물리화학적 성질

녹는점: 114 · 114-117 °C (lit.)
끓는 점: 294.6 · 294.6±35.0 °C(Predicted)
밀도: 2.287 · 2.287±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): 0.81 · 0.81±0.10(Predicted)
물리적 상태: 가루
색상: 노란색에서 갈색으로
InChI: InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKey: DTLBKXRFWUERQN-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)N=C1Br

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (80.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33599

Hazard Classes and CategoriesAcute Tox. 3 (80.4%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29339900
risk_code: 22-37/38-41
hazard_code: Xn,Xi
safety_code: 26-36/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

화학 및 산업

응용 분야 · 2건

용도2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitor s.

일반 설명2-Amino-3,5-dibromopyrazine can be synthesized from 2-aminopyrazine via bromination using N-bromosuccinimide (NBS). It reacts with sodium dicyanocuprate to form a mixture of mono and dicyanation products. The formation of 2-aminothiazolopyrazines by reacting 2-amino-3,5-dibromopyrazine with isothiocyanates has been reported.