3-(브로모메틸)퀴녹살린-2(1H)-원 (1)

3-(Bromomethyl)-1,2-dihydroquinoxalin-2-one

HCID 286254
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기본 정보

CAS
62235-61-4
표준 SMILES
O=c1[nH]c2ccccc2nc1CBr
InChIKey
SOTAKCFOTFCVSS-UHFFFAOYSA-N
분자식
C9H7BrN2O
평균 분자량
239.07 g/mol
단동위원소 질량
237.97417494

이름 및 식별자

우선 이름
3-(Bromomethyl)-1,2-dihydroquinoxalin-2-one
IUPAC
3-(bromomethyl)-1H-quinoxalin-2-one
현지명
3-(브로모메틸)퀴녹살린-2(1H)-원 (1)
영어명
3-(BROMOMETHYL)QUINOXALIN-2(1H)-ONE
분자식
C9H7BrN2O
분자량
239.07

이름 및 동의어

3-(bromomethyl)-1,2-dihydroquinoxalin-2-oneRefChem:494360624-084-962235-61-43-Bromomethylquinoxalin-2-one3-(Bromomethyl)-2-quinoxalinol3-(bromomethyl)-1H-quinoxalin-2-one3-(bromomethyl)quinoxalin-2-olNSC144168NSC 1441682(1H)-Quinoxalinone, 3-(bromomethyl)-3-(bromomethyl)hydroquinoxalin-2-one
이름 더 보기
3-(브로모메틸)퀴녹살린-2(1H)-원(1)3-(브로모메틸)퀴녹살린-2(1H)-ONE3-Bromomethyl-1H-quinoxalin-2-one3-Bromomethyl-2(1H)-quinoxalinone3-(BROMOMETHYL)QUINOXALIN-2(1H)-ONE3-(Bromomethyl)quinoxalin-2(1H)-one97%3-(Bromo methyl ) Quinoxiline (1 H) - one
3-(Bromomethyl)quinoxaline-2(1H)-oneSCHEMBL681084SCHEMBL1161820CHEMBL1973412DTXSID702112873-bromo methyl-2(1H)quinoxalinoneSBB0549763-(bromomethyl)-2(1h)-quinoxalinone

데이터베이스 식별자

CAS
62235-61-4
PubChem CID
286254
DTXSID
DTXSID70211287
ChEMBL
CHEMBL1973412
EC Number
624-084-9
Nikkaji
J721.658K

물성

구조 계산 물성

XLogP
1.5
극성 표면적
41.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
13

물리화학적 성질

녹는점
202 °C · 202 °C (dec.)(lit.)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (11.4%)

안전 데이터

wgk
3
ridadr
UN1759
HS 번호
2933998090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야

용도3-(Bromomethyl)Quinoxalin-2(1h)-One is used in preparation of benzoxazinone derivatives as GlyT1 inhibitors useful in the treatment of GlyT1 mediated disorders.

공급사42 곳

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

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