기본 정보
- CAS
1750-45-4- 표준 SMILES
O=c1[nH]c2cc(Cl)c(O)cc2o1- InChIKey
AGLXDWOTVQZHIQ-UHFFFAOYSA-N- 분자식
- C7H4ClNO3
- 평균 분자량
- 185.56 g/mol
- 단동위원소 질량
- 184.9879707
이름 및 식별자
- 우선 이름
- 6-Hydroxychlorzoxazone
- IUPAC
- 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
- 영어명
- 6-HYDROXYCHLORZOXAZONE
- 분자식
- C7H4ClNO3
- 분자량
- 185.56
이름 및 동의어
6-Hydroxychlorzoxazone1750-45-42(3H)-Benzoxazolone, 5-chloro-6-hydroxy-5-Chloro-6-hydroxy-2-benzoxazolinone2-BENZOXAZOLINONE, 5-CHLORO-6-HYDROXY-M5YLT4Y73FDTXSID50169919NSC-24955RefChem:104765DTXCID90924106-hydroxy Chlorzoxazone5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one
이름 더 보기
6-HYDROXY CHLORZOXAZONE-D25-CHLORO-6-HYDROXYBENZOXAZONE6-Hydroxy Chlorzoxazone-15N-d26 Hydroxy Chlorzoxazone 13C 15NChlorzoxazone 6-Hydroxy Impurity6-Hydroxychlorzoxazone >=98% (HPLC)
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-oneNSC 249555-Chloro-6-hydroxy-2(3H)-benzoxazolone5-chloro-6-hydroxy-1,3-benzoxazol-2(3h)-oneMFCD00143502BRN 09116742(3H)-Benzoxazolone,5-chloro-6-hydroxy-5-chloro-6-hydroxy-2-benzoxazolinon
데이터베이스 식별자
- CAS
1750-45-4- PubChem CID
- 2734
- DTXSID
DTXSID50169919- ChEMBL
CHEMBL3182250- ChEBI
CHEBI:184399- UNII
- M5YLT4Y73F
- EC Number
- 621-147-2
- Nikkaji
- J41.861G
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 211
물리화학적 성질
- 녹는점
- 240 · 240-242°C
- 밀도
- 1.649 · 1.649±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올 에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.83 · 7.83±0.70(Predicted)
- 색상
- 흰색에서 분홍색으로
- InChI
- 1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
- InChIKey
- AGLXDWOTVQZHIQ-UHFFFAOYSA-N
- SMILES
- Oc1cc2OC(=O)Nc2cc1Cl
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 2
- rtecs
- DM5260000
- HS 번호
- 29349990
- risk_code
- 36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xi,T,F
- safety_code
- 26-45-36/37-16-7
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/Metabolites6-Hydroxychlorzoxazone is a known human metabolite of chlorzoxazone.
Tissue LocationsKidney；Liver
Cellular LocationsCytoplasm；Membrane
응용 분야
용도6-Hydroxychlorzoxazone has been used for HPLC-based metabolic assays of chlorzoxazone.
공급사68 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
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