기본 정보
- CAS
139022-25-6- 표준 SMILES
O=C(O)c1ccc2nccn2c1- InChIKey
ONOJJCTXSDBVSP-UHFFFAOYSA-N- 분자식
- C8H6N2O2
- 평균 분자량
- 162.15 g/mol
- 단동위원소 질량
- 162.04292744
이름 및 식별자
- 우선 이름
- Imidazo(1,2-a)pyridine-6-carboxylic acid
- IUPAC
- imidazo[1,2-a]pyridine-6-carboxylic acid
- 영어명
- imidazo[1,2-a]pyridine-6-carboxylic acid
- 분자식
- C8H6N2O2
- 분자량
- 162.15
이름 및 동의어
Imidazo[1,2-a]pyridine-6-carboxylic acid139022-25-6DTXSID00427738Imidazo(1,2-a)pyridine-6-carboxylic acidRefChem:348582DTXCID80378572640-508-5MFCD07021498SCHEMBL1735281H-IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACIDAKOS005071089PB10400
이름 더 보기
EOS-60803Olprinone Impurity 32Imidazo[1,2-a]pyridine-6-...6-Carboxyimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-6-carboxylicAci6-imidazo[2,1-f]pyridinecarboxylic acidiMidazo[1,2-a]pyridin-6-carboxylic acidimidazo[2,1-f]pyridine-6-carboxylic acidH-iMidazo[1,2-a]pyridin-6-carboxylic acid
4-hydroimidazo[1,2-a]pyridine-6-carboxylic acidImidazo[1,2-a]pyridine-6-carboxylicacidH-imidazo[1,2-a]pyridine-6-carboxylic acidBCP17435ALBB-027668CS-W00554SBB053507CS-W005545
데이터베이스 식별자
- CAS
139022-25-6- PubChem CID
- 7075376
- DTXSID
DTXSID00427738- EC Number
- 640-508-5
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 54.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 195
물리화학적 성질
- 녹는점
- 250 · 250
- 밀도
- 1.41 · 1.41
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 0.67 · 0.67±0.41(Predicted)
- 물리적 상태
- 고체
- 색상
- 페일베이지부터 라이트베이지까지
- 안정성
- 흡습성
- InChI
- InChI=1S/C8H6N2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5H,(H,11,12)
- InChIKey
- ONOJJCTXSDBVSP-UHFFFAOYSA-N
- SMILES
- C12=NC=CN1C=C(C(O)=O)C=C2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 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 (75%)；Skin Sens. 1 (25%)；Eye Irrit. 2A (75%)；STOT SE 3 (75%)
안전 데이터
- HS 번호
- 2933599590
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 22-26-36/37/39-36/37
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도Imidazo[1,2-a]pyridine-6-carboxylic acid is a brown solid that should be stored sealed at room temperature and away from light. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
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상류 원료
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