기본 정보
- CAS
876343-38-3- 표준 SMILES
O=C1NCc2cc([N+](=O)[O-])ccc21- InChIKey
CZXUANYPXDFFOG-UHFFFAOYSA-N- 분자식
- C8H6N2O3
- 평균 분자량
- 178.14 g/mol
- 단동위원소 질량
- 178.03784206
이름 및 식별자
- 우선 이름
- 5-nitro-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 5-nitro-2,3-dihydroisoindol-1-one
- 현지명
- 5-니트로이소인돌린-1-ONE
- 영어명
- 5-Nitroisoindolin-1-one
- 분자식
- C8H6N2O3
- 분자량
- 178.14
이름 및 동의어
876343-38-35-NITRO-2,3-DIHYDRO-1H-ISOINDOL-1-ONEDTXSID70554126RefChem:304376DTXCID70504909806-850-65-NITROISOINDOLIN-1-ONE5-NITRO-2,3-DIHYDROISOINDOL-1-ONEMFCD100008275-Nitro-1-isoindolinone5-Nitro-2,3-dihydro-isoindol-1-oneSCHEMBL1163250
이름 더 보기
5-니트로이소인돌린-1-ONE1H-Isoindol-1-one, 2,3-dihydro-5-nitro-
2,3-Dihydro-5-nitro-1H-isoindol-1-oneCZXUANYCZXUANYPXDFFOG-UHFFFAOYSA-NBKB34338AKOS006303550CS-W006401PB28119SS-6036
데이터베이스 식별자
- CAS
876343-38-3- PubChem CID
- 14005625
- DTXSID
DTXSID70554126- EC Number
- 806-850-6
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 74.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 248
물리화학적 성질
- 끓는 점
- 505.8 · 505.8±50.0 °C(Predicted)
- 밀도
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 12.36 · 12.36±0.20(Predicted)
- InChI
- InChI=1S/C8H6N2O3/c11-8-7-2-1-6(10(12)13)3-5(7)4-9-8/h1-3H,4H2,(H,9,11)
- InChIKey
- CZXUANYPXDFFOG-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C([N+]([O-])=O)C=C2)CN1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
안전 데이터
- HS 번호
- 2933790090
화학 및 산업
공급사70 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
常州稀亚生物科技有限公司13775267187
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
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