Basic information
- CAS
17257-10-2- Standard SMILES
O=Cc1ccc(C#Cc2ccccc2)s1- InChIKey
YFMUACLZRVJOBK-UHFFFAOYSA-N- Molecular formula
- C13H8OS
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.02958588
Names & identifiers
- Preferred name
- 5-(Phenylethynyl)thiophene-2-carbaldehyde
- IUPAC
- 5-(2-phenylethynyl)thiophene-2-carbaldehyde
- English name
- 5-(2-PHENYLETH-1-YNYL)THIOPHENE-2-CARBALDEHYDE
- Molecular formula
- C13H8OS
- Molecular weight
- 212.27
Names & synonyms
17257-10-25-(Phenylethynyl)thiophene-2-carbaldehydeDTXSID00371868RefChem:300614DTXCID503229015-(2-Phenyleth-1-Ynyl)Thiophene-2-Carbaldehyde5-(2-phenylethynyl)thiophene-2-carbaldehydeC13H8OS5-(phenylethynyl)thiophene-2-carboxaldehydeMFCD00126374AKOS004120104AS-40124
Show more names
BUTTPARK 46\04-455-Phenylethynylthiophene-2-aldehyde5-(Phenylethynyl)-2-thiophenecarbaldehyde5-(2-phenylethynyl)-2-thiophenecarboxylate5-(2-phenylethyl-1-yl)thiophene-2-methanal
2-Thiophenecarboxaldehyde, 5-(phenylethynyl)-5-(PHENYLETHYNYL)THIOPHENE-2-CARBOXYLATE2-Thiophenecarboxaldehyde,5SCHEMBL1244010CHEMBL44727432-formyl-5-(phenylethynyl)thiopheneSBB0946715-phenylethynyl-thiophene-2-carbaldehyde
Database identifiers
- CAS
17257-10-2- PubChem CID
- 2737140
- DTXSID
DTXSID00371868- ChEMBL
CHEMBL4472743- EC Number
- 672-949-4
- Nikkaji
- J1.979.145I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 388.6 · 388.6±27.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 17257 · 17257-10-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers34 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海伯倚化工科技有限公司021-54096810 18017263450 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海相辉医药科技有限公司[email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
5 records
Compound notes
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