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기본 정보
- CAS
105994-75-0- 표준 SMILES
Cn1ncc(C(=O)O)c1-c1ccccc1- InChIKey
MXGOKNNGBUOAGF-UHFFFAOYSA-N- 분자식
- C11H10N2O2
- 평균 분자량
- 202.21 g/mol
- 단동위원소 질량
- 202.07422757
이름 및 식별자
- 우선 이름
- 1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-methyl-5-phenylpyrazole-4-carboxylic acid
- 현지명
- 1-메틸-5-페닐-1H-피라졸-4-카르복실산
- 영어명
- 1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
- 분자식
- C11H10N2O2
- 분자량
- 202.21
이름 및 동의어
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid105994-75-0DTXSID30383696RefChem:231953DTXCID90334720831-562-21-methyl-5-phenylpyrazole-4-carboxylic acidMFCD040389571H-Pyrazole-4-carboxylicacid, 1-methyl-5-phenyl-1H-Pyrazole-4-carboxylic acid, 1-methyl-5-phenyl-1FFSDCCGMLS-0066070.P001
이름 더 보기
1-메틸-5-페닐-1H-피라졸-4-카르복실산4-Carboxy-1-methyl-5-phenyl-1H-pyrazole1-Phenyl-5-Methyl Pyrazole-4-Carboxylic Acid1-Methyl-5-phenyl-1H-pyrazol-4-carboxylic acid1-Methyl-5-phenyl-1H-pyrazole-4-carboxylicacid97%1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid 97%
SCHEMBL826906CHEMBL2326886BUTTPARK 98\18-87MXGOKNNGBUOAGF-UHFFFAOYSA-NFEA99475SBB092924AKOS009159066PS-3429
데이터베이스 식별자
- CAS
105994-75-0- PubChem CID
- 2795474
- DTXSID
DTXSID30383696- ChEMBL
CHEMBL2326886- EC Number
- 831-562-2
- Nikkaji
- J3.210.993D
물성
구조 계산 물성보충 중
- XLogP
- 1.4
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 239
물리화학적 성질
- 녹는점
- 215 · 215-216
- 끓는 점
- 367.003 · 367.003±22.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.249 · 1.249±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.18 · 4.180±0.10(predicted)
- 물리적 상태
- 결정질 고체
- 색상
- 하얀색
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 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933199090
- risk_code
- 22-36
- hazard_code
- Xi,Xn
- safety_code
- 26
- 위험 참고 사항
- Irritant
화학 및 산업
공급사25 곳
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
HBCChem, Inc.+1-510-219-6317 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
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