기본 정보
- CAS
776-79-4- 표준 SMILES
O=C(O)CCc1ccccc1C(=O)O- InChIKey
VEEXBQLWMFMATJ-UHFFFAOYSA-N- 분자식
- C10H10O4
- 평균 분자량
- 194.18 g/mol
- 단동위원소 질량
- 194.0579088
이름 및 식별자
- 우선 이름
- 3-(2-Carboxyphenyl)propionic acid
- IUPAC
- 2-(2-carboxyethyl)benzoic acid
- 현지명
- 3-(2-카르복시페닐)프로피오닉 산
- 영어명
- 3-(2-Carboxyphenyl)propionic acid
- 분자식
- C10H10O4
- 분자량
- 194.18
이름 및 동의어
3-(2-Carboxyphenyl)propionic acidRefChem:490761624-678-82-(2-carboxyethyl)benzoic acid776-79-4MFCD000165502-Carboxybenzenepropanoic acidBENZENEPROPANOIC ACID, 2-CARBOXY-NSC166373-(2-CARBOXYPHENYL)PROPANOIC ACIDSCHEMBL290622-(2-carboxyethyl)benzoicacid
이름 더 보기
3-(2-카르복시페닐)프로피오닉산4-카복시벤젠프로판산3-(2-CARBOXYPHENYL)프로피온산Tetralic acid4-carboxybenzenepropanoic acidNSC 16637o-Carboxyhydrocinnamic acid2-Carboxyhydrocinnamic acid2-CARBOXYPHENYLPROPANOIC ACID2-Carboxybenzenepropanic AcidO-CARBOXYPHENYLPROPIONIC ACID
SCHEMBL275682532-(2-carboxyethyl) benzoic acid2-(2-carboxyethyl)-benzoic acidDTXSID10280376NSC-16637AKOS005216393CS-W010663FC66122
데이터베이스 식별자
- CAS
776-79-4- PubChem CID
- 226294
- DTXSID
DTXSID10280376- EC Number
- 624-678-8
- Nikkaji
- J752.343B
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 224
물리화학적 성질
- 녹는점
- 166 · 166-168 °C (lit.)
- 끓는 점
- 394.4 · 394.4±17.0 °C(Predicted)
- 밀도
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 3.99 · 3.99±0.36(Predicted)
- InChI
- 1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
- InChIKey
- VEEXBQLWMFMATJ-UHFFFAOYSA-N
- SMILES
- OC(=O)CCc1ccccc1C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2917399590
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요3-(2-Carboxyphenyl) propionic acid is a chemical compound that belongs to the group of phytoalexins. It is a synthetic compound that is used as a raw material for the synthesis of various pharmaceuticals and additional organic compounds. 3-(2-Carboxyphenyl) propionic acid has shown luminescence properties, which may be due to its oxidation products. The isoquinoline alkaloids present in this compound are responsible for its anti-inflammatory effects. 3-(2-Carboxyphenyl) propionic acid can also be found in conjugates with chloride or other organic acids, such as diazide, which inhibit bacterial growth and increase the solubility of this substance.
일반 설명3-(2-Carboxyphenyl)propionic acid (2-(2-carboxyethyl)benzoic acid) is an aromatic acid that undergoes cyclization to generate 1-indanone on heating. It is formed during the reaction of β-tetralone with KO2 in toluene.
상·하류 제품 정보
하류 제품
공급사58 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
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