Basic information
- CAS
10486-61-0- Standard SMILES
Ic1ccsc1- InChIKey
WGKRMQIQXMJVFZ-UHFFFAOYSA-N- Molecular formula
- C4H3IS
- Average molar mass
- 210.04 g/mol
- Monoisotopic mass
- 209.9000191
Names & identifiers
- Preferred name
- 3-Iodothiophene
- IUPAC
- 3-iodothiophene
- English name
- 3-IODOTHIOPHENE
- Molecular formula
- C4H3IS
- Molecular weight
- 210.04
Names & synonyms
3-Iodothiophene10486-61-0Thiophene, 3-iodo-EINECS 234-009-8DTXSID60146791RefChem:94472DTXCID2069282234-009-8InChI=1/C4H3IS/c5-4-1-2-6-3-4/h1-3WGKRMQIQXMJVFZ-UHFFFAOYSA-NMFCD000379013-Thienyl Iodide
Show more names
3-lodothiopheneiodothiopheneThien-3-yl iodide3-Iodothiophene>Thiophene, 3-iodo-3-Iodine Thiophene3-Iodothiophene >=97%
BIDD:GT0252SCHEMBL150265AKOS015853830CS-W004948AS-17578I0380EN300-1085553-Iodothiophene, stab. with copper
Database identifiers
- CAS
10486-61-0- PubChem CID
- 66332
- DTXSID
DTXSID60146791- EC Number
- 234-009-8
- Nikkaji
- J149.962I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -13.4 °C · -13.4 °C
- Boiling point
- 75 °C/14 · 75 °C/14 mmHg (lit.)
- Density
- 2.066 g/mL · 2.066 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.657(lit.)
- Flash point
- 173 °F · 173 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Yellow
- Sensitive
- Light Sensitive
- BRN
- 105451 · 105451
- InChI
- InChI=1S/C4H3IS/c5-4-1-2-6-3-4/h1-3H
- InChIKey
- WGKRMQIQXMJVFZ-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1I
- CAS DataBase Reference
- 10486 · 10486-61-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 210 e-P280a-P305+P351+P338-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 · P210e-P280a-P305+P351+P338-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Risk Statements
- 36 · 36/38
- Safety Statements
- 26 · 26-36/37/39-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (12.5%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (12.5%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319
- Precautionary statements
- P210e-P280a-P305+P351+P338-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Applications
Uses3-Iodothiophene was used in the synthesis of 3-thienylzinc iodide via reaction with zinc, followed by coupling with aryl halides. It was also used in the preparation of 3-(perfluorooctyl)thiophene, required for the synthesis of poly(3-perfluorooctylthiophene) conjugated polymer.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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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]
北京东华力拓科技发展有限公司010-88425576 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
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上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
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TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
无锡中坤生化科技有限公司+86 0510-85629785
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上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
济南嘉彬新材料科技有限公司0531-89293752 18363056853 · [email protected]
Related reactions
24 records
Compound notes
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