기본 정보
- CAS
156270-06-3- 표준 SMILES
O=C(O)c1c[nH]c2ncccc12- InChIKey
KYBIRFFGAIFLPM-UHFFFAOYSA-N- 분자식
- C8H6N2O2
- 평균 분자량
- 162.15 g/mol
- 단동위원소 질량
- 162.04292744
이름 및 식별자
- 우선 이름
- 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
- IUPAC
- 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
- 현지명
- 1H-피롤로[2,3-B]피리딘-3-카르복실산
- 영어명
- 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
- 분자식
- C8H6N2O2
- 분자량
- 162.15
이름 및 동의어
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid156270-06-3DTXSID204362211H-Pyrrolo(2,3-b)pyridine-3-carboxylic acidRefChem:240784DTXCID60387046626-855-57-AZAINDOLE-3-CARBOXYLIC ACID1H-Pyrrolo[2,3-b]pyridine-3-carboxylicacidMFCD07778360SCHEMBL9852147-Azaindole-3-carboxylic acid, 95%
이름 더 보기
1H-피롤로[2,3-B]피리딘-3-카르복실산7-azaindole-3-carboxylic ...7-Azaindole-3-carboxylic acid 95%Methyl 7-azaindole-3-carboxylic acidPyrrolo[2,3-b]pyridine-3-carboxylicacid1H-Pyrrolo[2,3-B]Pyridine-3-CarboxylicAci1H-pyrrolo[2,3-b]pyridine-3-carbo×ylic acid1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 3-Carboxy-1H-pyrrolo[2,3-b]pyridine
CS-W019745PB23519NCGC00326021-01EN300-51102AB01321260-02Z385370186AM200508381H-Pyrrolo[2,3-b]pyr
데이터베이스 식별자
- CAS
156270-06-3- PubChem CID
- 10154191
- DTXSID
DTXSID20436221- EC Number
- 626-855-5
- Nikkaji
- J1.378.118D
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 195
물리화학적 성질
- 녹는점
- 205 · 205-209 °C
- 끓는 점
- 425.3 · 425.3±45.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 0.52 · 0.52±0.20(Predicted)
- 수용성
- 물에 약간 용해됩니다.
- InChI
- InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)(H,11,12)
- InChIKey
- KYBIRFFGAIFLPM-UHFFFAOYSA-N
- SMILES
- C12NC=C(C(O)=O)C1=CC=CN=2
화학적 성질
Solid
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]；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, 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 40 reports by companies from 3 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339980
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도7-Azaindole-3-carboxylic acid is a reactant for synthesis of azaindol derivatives as new acrosin inhibitors and for preparation of triazoles via regioselective heterocyclizaiton reactions. It is also a reactant for synthesis of azaindolylcarboxy-endo-tropanamide.
상·하류 제품 정보
상류 원료
하류 제품
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