3-Bromo-5-chloropyrazin-2-amine

HCID 10488609CAS 76537-18-3

기본 정보

표준 SMILES: Nc1ncc(Cl)nc1Br
InChIKey: ACFBUXHJONGLLF-UHFFFAOYSA-N
분자식: C4H3BrClN3
평균 분자량: 208.44 g/mol
단동위원소 질량: 206.91989

이름 및 식별자

우선 이름: 3-Bromo-5-chloropyrazin-2-amine
IUPAC: 3-bromo-5-chloropyrazin-2-amine
영어명: 2-Amino-3-bromo-5-chloropyrazine
분자식: C4H3BrClN3
분자량: 208.44

이름 및 동의어

3-bromo-5-chloropyrazin-2-amineRefChem:498871810-093-776537-18-32-AMINO-3-BROMO-5-CHLOROPYRAZINE2-Pyrazinamine,3-bromo-5-chloro-MFCD09909643Pyrazinamine, 3-bromo-5-chloro-3-Bromo-5-chloro-pyrazin-2-ylamineSCHEMBL116061DTXSID30440738CS-D0361

이름 더 보기

2-amine-3-bromo-5-chloropyrazin3-Bromo-5-chloro-2-aminopyrazine2-Pyrazinamine, 3-bromo-5-chloro-3-Bromo-5-chloropyrazin-2-ylamine2-AMINO-3-BROMO-5-CHLOROPYRAZINE ISO 9001：2015 REACH

3-bromo-5-chloro-pyrazin-2-amineAmino-3-bromo-5-chloropyrazineSCHEMBL29892904AKOS015854860AB54749AS-18539SY034394EN300-108271

데이터베이스 식별자

CAS: 76537-18-3
PubChem CID: 10488609
DTXSID: DTXSID30440738
EC Number: 810-093-7

물성

구조 계산 물성

XLogP: 1.4
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: 102

물리화학적 성질

끓는 점: 298.4 · 298.4±35.0 °C(Predicted)
밀도: 1.96 · 1.96
굴절률: 1.66 · 1.66
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 0.89 · 0.89±0.10(Predicted)
InChI: InChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKey: ACFBUXHJONGLLF-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)N=C1Br

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.