3-Amino-6-bromopyrazine-2-carboxylic acid

HCID 18521600

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 486424-37-7
표준 SMILES: Nc1ncc(Br)nc1C(=O)O
InChIKey: MTNAQEKMSVDTAQ-UHFFFAOYSA-N
분자식: C5H4BrN3O2
평균 분자량: 218.01 g/mol
단동위원소 질량: 216.94868847

이름 및 식별자

우선 이름: 3-Amino-6-bromopyrazine-2-carboxylic acid
IUPAC: 3-amino-6-bromopyrazine-2-carboxylic acid
영어명: 3-Amino-6-bromopyrazine-2-carboxylic acid
분자식: C5H4BrN3O2
분자량: 218.01

이름 및 동의어

3-amino-6-bromopyrazine-2-carboxylic acid486424-37-7DTXSID105944003-amino-6-bromo-2-pyrazinecarboxylic acidRefChem:497458DTXCID00545163802-115-9MFCD082756812-AMINO-5-BROMOPYRAZINE-3-CARBOXYLIC ACID3-Amino-6-bromo-pyrazine-2-carboxylic acid3-Amino-6-bromopyrazine-2-carboxylicacidPyrazinecarboxylic acid, 3-amino-6-bromo-

이름 더 보기

3-AMINO-6-BROMOPYRAZINE-2-CARB3-Amino-6-bromopyrazine-2-carboxylicaci2-Pyrazinecarboxylic acid, 3-amino-6-bromo-3-Amino-6-bromopyrazine-2-carboxylicacid,98%3-AMINO-6-BROMOPYRAZINE-2-CARBOXYLIC ACID, 95+%3- amino -6- bromopyrazoline -2- carboxylic acid3-Amino-6-bromopyrazine-2-carboxylic acid ISO 9001：2015 REACH2-Amino-5-bromo-3-carboxypyrazine, 2-Amino-5-bromo-3-carboxy-1,4-diazine

SCHEMBL410727MTNAQEKMSVDTAQ-UHFFFAOYSA-NSBB065704AKOS015854559AB44798CS-W005263FA09806AC-23733

데이터베이스 식별자

CAS: 486424-37-7
PubChem CID: 18521600
DTXSID: DTXSID10594400
EC Number: 802-115-9

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 89.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 178 · 178-183℃
끓는 점: 397.8 · 397.8±42.0 °C(Predicted)
밀도: 2.039 · 2.039±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 디메틸설폭사이드와 메탄올에 용해됩니다.
산도 계수 (pKa): 3.26 · 3.26±0.10(Predicted)
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)
InChIKey: MTNAQEKMSVDTAQ-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(Br)=CN=C1N

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 2933998090
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Amino-6-bromopyrazine-2-carboxylic acid used to prepare 3-bromo-5-phenylpyrazine-2-amine. It serves as an intermediate in organic synthesis and pharmaceuticals.