Methyl 3-Amino-6-bromopyrazine-2-carboxylate

HCID 227251CAS 6966-01-4

기본 정보

표준 SMILES: COC(=O)c1nc(Br)cnc1N
InChIKey: CNXSIRHOIFRMOB-UHFFFAOYSA-N
분자식: C6H6BrN3O2
평균 분자량: 232.03 g/mol
단동위원소 질량: 230.96433853

이름 및 식별자

우선 이름: Methyl 3-Amino-6-bromopyrazine-2-carboxylate
IUPAC: methyl 3-amino-6-bromopyrazine-2-carboxylate
영어명: Methyl 3-amino-6-bromopyrazine-2-carboxylate
분자식: C6H6BrN3O2
분자량: 232.03

이름 및 동의어

methyl 3-amino-6-bromopyrazine-2-carboxylateDTXSID90280793RefChem:815233DTXCID90231947687-153-26966-01-4MFCD008349642-AMINO-5-BROMOPYRAZINE-3-CARBOXYLIC ACID METHYL ESTERNSC18700Methyl 3-Amino-6-Bromopyrazine-2-Carboxylic EsterPyrazinecarboxylic acid, 3-amino-6-bromo-, methyl estermethyl 3-amino-6-bromo-2-pyrazinecarboxylate

이름 더 보기

NSC 18700C6H6BrN3O2-6966-01-4Favipiravir Impurity 24Favipiravir Impurity 173-AMINO-6-BROMOPYRAZINE-2-CARBOXYLATEMethyl 3-amino-6-bromopyrazine-2-formate2-Amino-5-bromo-3-(methoxycarbonyl)pyrazineMethyl 6-BroMo-3-aMinopyrazine-2-carboxylate

3-AMINO-6-BROMOPYRAZINE-2-CARBOXYLIC ACID METHYL ESTERmethyl 3-amino-6-bromo-pyrazine-2-carboxylate2-amino-3-methoxycarbonyl-5-bromopyrazineEN300-1996763-Amino-6-bromo-pyrazine-2-carboxylic acid methyl esterMethyl3-amino-6-bromopyrazine-2-carboxylateAM20070383methyl 6-bromo-3-amino-2-pyrazinecarboxylate

데이터베이스 식별자

CAS: 6966-01-4
PubChem CID: 227251
DTXSID: DTXSID90280793
EC Number: 687-153-2
Nikkaji: J384.897C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 164 · 164-166C
끓는 점: 322.4 · 322.4±37.0 °C(Predicted)
밀도: 1.754 · 1.754±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: soluble in Chloroform, Ethyl Acetate, Methanol
산도 계수 (pKa): -1.74 · -1.74±0.10(Predicted)
물리적 상태: 고체
색상: 황백색에서 노란색까지
InChI: InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKey: CNXSIRHOIFRMOB-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Br)=CN=C1N

화학적 성질

Orange Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (93%)

안전 데이터

wgk: WGK 3
HS 번호: 2933998090
risk_code: 43
hazard_code: Xi
safety_code: 37
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Pyrazine derivatives as Axl and C-Met receptor enzyme inhibitors.

상·하류 제품 정보

상류 원료

하류 제품

메틸3,6-디브로모피라진-2-카르복실레이트 메틸6-브로모-3-메톡시피라진-2-카르복실레이트 Methyl 3-amino-6-bromo-5-chloropyrazine-2-carboxylate

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

연결된 노트

불러오는 중…