기본 정보
- CAS
39098-97-0- 표준 SMILES
O=C(Cl)Cc1cccs1- InChIKey
AJYXPNIENRLELY-UHFFFAOYSA-N- 분자식
- C6H5ClOS
- 평균 분자량
- 160.62 g/mol
- 단동위원소 질량
- 159.97496346
개요
Thiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.
이름 및 식별자
- 우선 이름
- 2-Thiopheneacetyl chloride
- IUPAC
- 2-thiophen-2-ylacetyl chloride
- 현지명
- 2-티오펜아세틸 염화물
- 영어명
- 2-Thiopheneacetyl chloride
- 분자식
- C6H5ClOS
- 분자량
- 160.62
이름 및 동의어
2-Thiopheneacetyl chloride39098-97-02-Thienylacetyl chlorideThiophene-2-acetyl chloride2-(2-thienyl)acetyl chloridethienylacetyl chloride3VR2Y6J8UGEINECS 254-290-0DTXSID5068156THIOPHENE-2-ACETIC ACID CHLORIDERefChem:89463thiophen-2-ylacetyl chloride
이름 더 보기
2-티오펜아세틸염화물2-티오펜아세틸염화물(2-THIOPHENEACETYLCHLORIDE)SKL1309AKOS BBS-000039192-ThiopheneacetyLTIMTEC-BB SBB0067052-Thiopheneacetyl chArticaine Impurity 2Articaine Impurity 112-thiophenyl chlorideArticaine Impurities1823
DTXCID2039594254-290-0AJYXPNIENRLELY-UHFFFAOYSA-N2-(thiophen-2-yl)acetyl chloride2-Thiophene acetyl chloride2-thiophen-2-ylacetyl chlorideThiopheneacetyl chlorideMFCD00005456
데이터베이스 식별자
- CAS
39098-97-0- PubChem CID
- 162362
- DTXSID
DTXSID5068156- UNII
- 3VR2Y6J8UG
- EC Number
- 254-290-0
- Nikkaji
- J25.366I
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 45.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Physical DescriptionThiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.
물리화학적 성질
- 끓는 점
- 105 · 105-106 °C/22 mmHg (lit.) 130-135 °C/90 mmHg (lit.)
- 밀도
- 1.303 g/mL · 1.303 g/mL at 25 °C (lit.)
- 증기압
- 4 mm · 4 mm Hg ( 83 °C)
- 굴절률
- 20 · n20/D 1.551(lit.)
- 인화점
- 215 °F · 215 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 클리어 브라운
- Specific Gravity
- 1.303 · 1.303
- 수용성
- 물과 반응합니다.
- BRN
- 114547 · 114547
- InChIKey
- AJYXPNIENRLELY-UHFFFAOYSA-N
- EPA
- 2 · 2-Thiopheneacetyl chloride (39098-97-0)
화학적 성질
CLEAR BROWN LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 110 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 24-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25726
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupSulfides, Organic
Reactivity AlertsWater-Reactive
Reactivity Profile
THIOPHENE-2-ACETYL CHLORIDE is incompatible with water, bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Air and Water ReactionsInsoluble in water. Decomposes exothermically in water yielding fumes of toxic hydrogen chloride.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 및 보호
Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29349990
- risk_code
- 14-34-37-29
- hazard_code
- C
- safety_code
- 26-28-36/37/39-45-8-30-23
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-33751
- F 고인화성물질
- 8-10-21
화학 및 산업
용도 및 제조
General Manufacturing Information2-Thiopheneacetyl chloride: ACTIVE
응용 분야
개요2-Thiopheneacetyl chloride is used as a reagent to synthesize diamide derivatives of (S)-BINOL. These derivatives display potential anti-inflammatory and anti-arthritis effects. 2-Thiopheneacetyl chloride is also used in the synthesis of Nitrocefin (N493815), a chromogenic substrate that changes colour in the presence of β-lactamases and penicillin-binding proteins.
용도2-Thiopheneacetyl chloride was used in the synthesis of (S)-ethyl-1-(2-thiopheneacetyl)-3-piperidinecarboxylate, nipecotate-containing immunopotentiator, 5-fluorouracil-cephalosporin prodrug, series of new N,N-di(thiopheneacetyl)diamines derivatives and 6-β-(thiophen-2-yl)acetamidomorphine. Also used in the synthesis of Nitrocefin.
일반 설명A clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.
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하류 제품
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