1,2-Benzisoxazole-3-methanesulfonate sodium

HCID 23674934
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기본 정보

CAS
73101-64-1
표준 SMILES
O=S(=O)([O-])Cc1noc2ccccc12.[Na+]
InChIKey
QILCHBOPDIODSB-UHFFFAOYSA-M
분자식
C8H6NNaO4S
평균 분자량
235.19 g/mol
단동위원소 질량
234.99152313

이름 및 식별자

우선 이름
1,2-Benzisoxazole-3-methanesulfonate sodium
IUPAC
sodium 1,2-benzoxazol-3-ylmethanesulfonate
영어명
1,2-Benzisoxazole-3-methanesulfonic acid sodium salt
분자식
C8H8NNaO4S
분자량
237.2

이름 및 동의어

73101-64-11,2-Benzisoxazole-3-methanesulfonate sodiumUNII-61MWM0KQ3OSodium 1,2-benzisoxazole-3-methanesulfonate61MWM0KQ3ODTXSID802233761,2-Benzisoxazole-3-methanesulfonic acid, sodium salt (1:1)RefChem:71682DTXCID801458671,2-Benzisoxaole-3-Methanesulfonic acid sodium salt615-908-8Sodium Benzo[d]isoxazol-3-ylmethanesulfonate
이름 더 보기
forZonisamideZonisaMide USP RC AZonisamide IntermediateZonisamide USP RC A sodiumZonisamideUSP RC Sodium SaltZonisaMide Related CoMpound A1,2-benzoxazol-3-ylmethanesulfonateZonisamide USP Related Compound A sodiumZonisamide Related Compound A Sodium Saltsodium 1,2-benzoxazol-3-ylmethanesulfonate
1,2-BENZISOXAZOLE-3-METHANESULFONIC ACID SODIUM SALT1,2-Benzisoxazole-3-methanesulfonate Sodium SaltC8H6NNaO4Ssodium;1,2-benzoxazol-3-ylmethanesulfonateMFCD07782146sodium (1,2-benzoxazol-3-yl)methanesulfonate1,2-Benzisoxazole-3-methanesulfonic acid, sodium salt (1:1); 1,2-Benzisoxazole-3-methanesulfonic acid sodium salt; 1,2-Benzisoxazole-3-methanesulfonic acid, sodium salt (9CI); Sodium 1,2-benzisoxazole-3-methanesulfonateZonisamide USP Rc A Sodium

데이터베이스 식별자

CAS
73101-64-1
PubChem CID
23674934
DTXSID
DTXSID80223376
UNII
61MWM0KQ3O
EC Number
615-908-8
Nikkaji
J24.456B

물성

구조 계산 물성

극성 표면적
91.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
275 °C · 275°C dec.
저장 조건
Inert atmosphere,Room Temperature
주요 응용
의약품(소분자)
InChI
InChI=1S/C8H7NO4S.Na.H/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7;;/h1-4H,5H2,(H,10,11,12);;
InChIKey
YQSCJDMJHSSTIO-UHFFFAOYSA-N
SMILES
C(C1=NOC2C=CC=CC1=2)S(O)(=O)=O.[NaH]

화학적 성질

Off-White Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.

유해성 정보

Regulatory InformationStatus: Active Update: 11-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24022
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Muta. 2 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 11-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24022

안전 데이터

wgk
WGK 3
HS 번호
2934990002
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도Zonisamide intermediate

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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