기본 정보
- 표준 SMILES
O=C(O)c1cccs1- InChIKey
QERYCTSHXKAMIS-UHFFFAOYSA-N- 분자식
- C5H4O2S
- 평균 분자량
- 128.15 g/mol
- 단동위원소 질량
- 127.99320037
개요
Thiophene-2-carboxylic acid is a thiophenecarboxylic acid in which the carboxy group is located at position 2. It is a conjugate acid of a thiophene-2-carboxylate.
이름 및 식별자
- 우선 이름
- 2-Thiophenecarboxylic acid
- IUPAC
- thiophene-2-carboxylic acid
- 현지명
- 2-티오펜카복실산
- 영어명
- 2-Thiophenecarboxylic acid
- 분자식
- C5H4O2S
- 분자량
- 128.15
이름 및 동의어
2-Thiophenecarboxylic acid527-72-02-Thenoic acid2-Carboxythiophene2-Thienylcarboxylic acidTenoic acid2-TCAThenoic acidNSC 2188Thiophene-2-carbixylic acidEINECS 208-423-4Rhinotrophyl (TN)
이름 더 보기
2-티오펜카복실산THIOPHENE-2-CARBOXYLIC ACIDthiophene-2-carboxylateAKOS B0227912-Thenoesure2-THIOPHENIC ACIDAKOS BBS-00003739
BRN 0110150Tenoic acid (DCF)AI3-16118NSC-2188THENOIC ACID [WHO-DD]DTXSID20601775-18-06-00158 (Beilstein Handbook Reference)2-THIOPHENECARBOXYLIC ACID [MI]
데이터베이스 식별자
- CAS
527-72-0- PubChem CID
- 10700
- DTXSID
DTXSID2060177- ChEMBL
CHEMBL1222314- ChEBI
CHEBI:71241- UNII
- 3FD00JX53J
- EC Number
- 208-423-4
- Nikkaji
- J25.404E
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 65.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 103
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesBoiling point
LogP1.57
Vapor Pressure0.0078 [mmHg]
Physical DescriptionSolid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 125 · 125-127 °C(lit.)
- 끓는 점
- 260 °C · 260 °C(lit.)
- 밀도
- 1.42 · 1.42
- 굴절률
- 1.516 · 1.5160 (estimate)
- 인화점
- 259 · 259-261°C
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 아세톤(약간 용해됨), 클로로포름(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.49 · 3.49(at 25℃)
- 색상
- 흰색에서 황백색까지
- 수용성
- 80 g/L · 80g/L(20℃)
- Merck
- 14 · 14,9354
- BRN
- 110150 · 110150
- InChI
- 1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
- InChIKey
- QERYCTSHXKAMIS-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cccs1
- LogP
- 1.57 · 1.570
- NIST
- 2 · 2-Thiophenecarboxylic acid(527-72-0)
- EPA
- 2 · 2-Thiophenecarboxylic acid (527-72-0)
화학적 성질
The substance is a light yellow crystal powder. It dissolves in hot water, ethanol, and ether, and is only slightly soluble in chloroform.
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral]
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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Thiophenecarboxylic acid
Status: Active Update: 02-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20441
2-Thiophenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 1,670 mg/kg; [RTECS] An irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (11.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XM8330200
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesThe sodium salt is used as a lubricating-grease thickener; [Merck Index]
General Manufacturing Information2-Thiophenecarboxylic acid: ACTIVE
응용 분야
용도2-Thenoic Acid, is a sulfur-containing heterocyclic compound, used in the synthesis of pharmaceutical and biologically active compounds. It is also shown to be utilized by presumptive Rhodococcus bacterium in soil, as a sole source of carbon.
제조 방법
생산 방법Thiophene 2-Carboxylic Acid, T2CA, is prepared via oxidation of 2-acetylthiophene using hypochlorite, because oxidation of alkylthiophenes leads to general breakdown of the thiophene ring.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
杭州东帆化学有限公司86-0571-85151182
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
泰州志诚化工科技有限公司0523-82837785 13914525028 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
山东益众新材料有限公司0531-69958783 15508681609 · [email protected]
常州中集化工有限公司0519-85156279-811,812 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
德州佳泰化工科技有限公司17653471880 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
추가 설명
정의ChEBI: Thiophene-2-carboxylic acid is a thiophenecarboxylic acid in which the carboxy group is located at position 2. It is a conjugate acid of a thiophene-2-carboxylate.
관련 반응
233건
연결된 노트
불러오는 중…