(3,6-DIOXO-1,2,3,6-TETRAHYDROPYRIDAZIN-4-YL)아세트산

2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid

HCID 254428CAS 121073-74-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)Cc1cc(=O)[nH][nH]c1=O
InChIKey
MIXPCRZDRIRXJD-UHFFFAOYSA-N
분자식
C6H6N2O4
평균 분자량
170.12 g/mol
단동위원소 질량
170.03275667

이름 및 식별자

우선 이름
2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid
IUPAC
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid
현지명
(3,6-DIOXO-1,2,3,6-TETRAHYDROPYRIDAZIN-4-YL)아세트산
영어명
(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid
분자식
C6H6N2O4
분자량
170.12

이름 및 동의어

2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acidRefChem:454790851-170-5121073-74-3(3,6-dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)-acetic acidMFCD002971212-(6-Hydroxy-3-oxo-2,3-dihydropyridazin-4-yl)acetic acid(3,6-Dioxo-1,2,3,6-tetrahydro-4-pyridazinyl)acetic acidNSC78800SCHEMBL1525313
이름 더 보기
(3,6-DIOXO-1,2,3,6-TETRAHYDROPYRIDAZIN-4-YL)아세트산NSC 78800ALINDA 98045TIMTEC-BB SBB0143372-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)1,2,3,6-Tetrahydro-3,6-dioxo-4-pyridazineacetic acid4-Pyridazineacetic acid, 2,3-dihydro-6-hydroxy-3-oxo-(6-Hydroxy-3-oxo-2,3-dihydropyridazin-4-yl)acetic acid
SCHEMBL2767743DTXSID90291869MIXPCRZDRIRXJD-UHFFFAOYSA-NWEA07374NSC-78800SBB014337STK689818AKOS005136089

데이터베이스 식별자

CAS
121073-74-3
PubChem CID
254428
DTXSID
DTXSID90291869
EC Number
851-170-5

물성

구조 계산 물성

XLogP
-1.5
극성 표면적
95.5 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

물리화학적 성질

녹는점
278 · 278-281℃ (Decomposition)
물리적 상태
solid
InChI
1S/C6H6N2O4/c9-4-1-3(2-5(10)11)6(12)8-7-4/h1H,2H2,(H,7,9)(H,8,12)(H,10,11)
InChIKey
MIXPCRZDRIRXJD-UHFFFAOYSA-N
SMILES
OC(=O)CC1=CC(=O)NNC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

risk_code
22
hazard_code
Xi,Xn
위험 등급
IRRITANT
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

공급사9 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]

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