기본 정보
- 표준 SMILES
O=C(Cl)c1cccs1- InChIKey
QIQITDHWZYEEPA-UHFFFAOYSA-N- 분자식
- C5H3ClOS
- 평균 분자량
- 146.6 g/mol
- 단동위원소 질량
- 145.9593134
개요
See also: Thiophene-2-carboxylic acid chloride (annotation moved to).
이름 및 식별자
- 우선 이름
- 2-Thiophenecarbonyl chloride
- IUPAC
- thiophene-2-carbonyl chloride
- 영어명
- 2-Thiophenecarbonyl chloride
- 분자식
- C5H3ClOS
- 분자량
- 146.59
이름 및 동의어
2-Thiophenecarbonyl chlorideThiophene-2-carbonyl chloride5271-67-02-Thenoyl chloride2-Thiophenecarbonylchloride2-Thienylcarbonyl chloride2-thiophene carbonyl chlorideMFCD00005428thiophenecarbonyl chloridethenoyl chloridethienoyl chloride2-thenoylchloride
이름 더 보기
2-thiophene chloride2-THIOPHENOYL CHLORIDESKL1317INDIP-024AKOS 92490AKOS BBS-000039242-Theonyl Chloride
a-Thenoyl chloride2-thenoyl-chloride2-thiophenecarboxylic acid chloride2-thienoyl chlorideEINECS 226-092-4Thiophenecarbonylchloride.alpha.-Thenoyl chloride2-thiophencarbonylchloride
데이터베이스 식별자
- CAS
5271-67-0- PubChem CID
- 78928
- DTXSID
DTXSID4063749- EC Number
- 226-092-4
- Nikkaji
- J25.467C
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 45.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 206 · 206-208 °C (lit.)
- 밀도
- 1.371 g/mL · 1.371 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.590(lit.)
- 인화점
- 195 °F · 195 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 액체
- Specific Gravity
- 1.371 · 1.371
- 색상
- 투명한 무색~황회색
- BRN
- 110145 · 110145
- InChI
- 1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H
- InChIKey
- QIQITDHWZYEEPA-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1cccs1
- NIST
- 2 · 2-Thiophenecarbonyl chloride(5271-67-0)
- EPA
- 2 · 2-Thiophenecarbonyl chloride (5271-67-0)
화학적 성질
CLEAR COLOURLESS TO YELLOW-GREY LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 87 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 18-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/15847
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29349990
- risk_code
- 34-37
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- 2010-3-4863
- F 고인화성물질
- 8
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information2-Thiophenecarbonyl chloride: ACTIVE
응용 분야
용도2-Thiophenecarbonyl Chloride is used in the synthesis of substituted pyridines as selective and highly effective GPR119 agonists. It is also seen in the preparation of diuretics.
일반 설명The postfunctionalization reaction of 2-thiophenecarbonyl chloride with single walled carbon nanotubes (SWCNTs) was studied.
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