기본 정보
- 표준 SMILES
Ic1cccs1- InChIKey
ROIMNSWDOJCBFR-UHFFFAOYSA-N- 분자식
- C4H3IS
- 평균 분자량
- 210.04 g/mol
- 단동위원소 질량
- 209.9000191
이름 및 식별자
- 우선 이름
- 2-Iodothiophene
- IUPAC
- 2-iodothiophene
- 현지명
- 요오드티펜(2-)
- 영어명
- 2-Iodothiophene
- 분자식
- C4H3IS
- 분자량
- 210.04
이름 및 동의어
2-IODOTHIOPHENEThiophene, 2-iodo-NSC 1082EINECS 222-342-1DTXSID0063026RefChem:87700DTXCID0038835222-342-1InChI=1/C4H3IS/c5-4-2-1-3-6-4/h1-3ROIMNSWDOJCBFR-UHFFFAOYSA-N3437-95-42-Thienyl iodide
이름 더 보기
요오드티펜(2-)2-아이오도싸이오펜2-IODTHIOPHENE2-Iodothyophene2-iodo-thiophenthiophene,2-iodo-2-Iodothiophene>2-Iodine Thiophene2-Iodothiophene, 98+%
2-iodo-thiopheneMFCD00005424alpha-Iodothiophene.alpha.-IodothiopheneIodothiophene149762-92-5Z4KJ38KVA6NSC-1082
데이터베이스 식별자
- CAS
3437-95-4- PubChem CID
- 18921
- DTXSID
DTXSID0063026- UNII
- Z4KJ38KVA6
- EC Number
- 222-342-1
- Nikkaji
- J149.961K
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 28.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 46.8
실험 및 물리화학적 성질
SpringerMaterials PropertiesCoriolis coupling
물리화학적 성질
- 녹는점
- -40 °C · -40 °C (lit.)
- 끓는 점
- 73 °C/15 · 73 °C/15 mmHg (lit.)
- 밀도
- 1.902 g/mL · 1.902 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.651(lit.)
- 인화점
- 160 °F · 160 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- Specific Gravity
- 1.902 · 1.902
- 색상
- 투명한 황록색에서 적갈색까지
- BRN
- 104666 · 104666
- InChI
- 1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
- InChIKey
- ROIMNSWDOJCBFR-UHFFFAOYSA-N
- SMILES
- Ic1cccs1
- NIST
- 2 · Thiophene, 2-iodo-(3437-95-4)
- EPA
- 2 · Thiophene, 2-iodo- (3437-95-4)
화학적 성질
colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29349990
- risk_code
- 22-37/38-41-43-20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39-36/37-27
- 위험 등급
- IRRITANT
- F 고인화성물질
- 3
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationThiophene, 2-iodo-: ACTIVE
응용 분야
용도2-Iodothiophene was used in the synthesis of (E)-and (Z)-2,3-difluoro-3-aryl substituted acrylic esters. It was also used as monomer in the preparation of thin conductive films via plasma polymerization of 2-iodothiophene.
일반 설명Mechanism of the fluoride-free, palladium-catalyzed cross-coupling reaction of 2-iodothiophene with potassium (E)-heptenyldimethylsilanolate has been investigated. 2-Iodothiophene participates in microwave-enhanced, rapid homogeneous-phase version of the Sonogashira reaction.
상·하류 제품 정보
상류 원료
하류 제품
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