Basic information
- CAS
23229-72-3- Standard SMILES
CCc1ccc(C(=O)O)s1- InChIKey
ZVBNGIDVTPTFCL-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.02450067
Names & identifiers
- Preferred name
- 5-Ethylthiophene-2-carboxylic acid
- IUPAC
- 5-ethylthiophene-2-carboxylic acid
- English name
- 5-ETHYL-THIOPHENE-2-CARBOXYLIC ACID
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.2
Names & synonyms
5-ethylthiophene-2-carboxylic acid23229-72-3DTXSID40343206RefChem:535582DTXCID60294286673-174-45-Ethyl-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 5-ethyl-5-Ethyl-2-thiophenecarboxylic acidMFCD00130089CHEMBL4280745SCHEMBL262044
Show more names
AKOS B000094AKOS MSC-0715RARECHEM AL BE 0391CHEMBRDG-BB 4402392ART-CHEM-BB B0000945-ethyl-2-thenoic acidASINEX-REAG BAS 102382925-ethyl-2-thiophenecarboxylate
5-ethylthiophene-2-carboxylicacidBDBM504677142-Thiophenecarboxylicacid, 5-ethyl-SCHEMBL127935ALBB-000936BBL028250SBB019480STK348654
Database identifiers
- CAS
23229-72-3- PubChem CID
- 588192
- DTXSID
DTXSID40343206- ChEMBL
CHEMBL4280745- EC Number
- 673-174-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 286.1 · 286.1±28.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 3.69 · 3.69±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- 1S/C7H8O2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
- InChIKey
- ZVBNGIDVTPTFCL-UHFFFAOYSA-N
- SMILES
- CCc1ccc(s1)C(O)=O
- CAS DataBase Reference
- 23229 · 23229-72-3(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (75%)；Eye Irrit. 2 (100%)；STOT SE 3 (75%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers39 total
上海莉凯化工技术有限公司16628776521 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
湖州澄博生物科技有限公司13626726938
常州探索化学有限公司15295164949 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [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]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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