기본 정보
- CAS
25739-23-5- 표준 SMILES
O=C(O)c1ccc(C#Cc2ccccc2)cc1- InChIKey
OGZUGPOTBGMCLE-UHFFFAOYSA-N- 분자식
- C15H10O2
- 평균 분자량
- 222.24 g/mol
- 단동위원소 질량
- 222.06807956
이름 및 식별자
- 우선 이름
- 4-(2-Phenylethynyl)benzoic acid
- IUPAC
- 4-(2-phenylethynyl)benzoic acid
- 현지명
- 4-페닐에티닐-벤조산
- 영어명
- 4-Phenylethynyl-benzoic acid
- 분자식
- C15H10O2
- 분자량
- 222.24
이름 및 동의어
4-(2-phenylethynyl)benzoic AcidRefChem:512737801-532-34-(phenylethynyl)benzoic acid25739-23-54-Phenylethynyl-benzoic acid4-phenylethynylbenzoic acidMFCD00438677RARECHEM AL BO 16524-(2-Phenylethynyl)-benzoic acidBenzoic acid, 4-(phenylethynyl)-4-(phenylethynyl)benzoicacid
이름 더 보기
4-페닐에티닐-벤조산Albb-005706AKOS B025059ART-CHEM-BB B0250595,6-dihydro-7H-thieno[3,2-b]pyran-7-one·?Benzoic acid, 4-?(2-?phenylethynyl)?-
4-phenylethynyl benzoic acidAKOS BAR-2464SCHEMBL240832SCHEMBL402518SCHEMBL5497692SCHEMBL6514875CHEMBL3548948DTXSID80401793
데이터베이스 식별자
- CAS
25739-23-5- PubChem CID
- 4308903
- DTXSID
DTXSID80401793- ChEMBL
CHEMBL3548948- EC Number
- 801-532-3
- Nikkaji
- J706.836K
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 319
물리화학적 성질
- 녹는점
- 220.5 · 220.5-221.0 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 407.3 · 407.3±28.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.08 · 4.08±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): 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 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2916399090
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도4-(Phenylethynyl)benzoic Acid is a reagent in the preparation og hGPR54 agonists which may be used in the modulation of testosterone levels in male mammals.
공급사53 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
苏州苏凯路化学科技有限公司0512-0512-62766020 15995735907 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
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