Basic information
- Standard SMILES
O=C(O)C(=O)c1cccs1- InChIKey
GIWRVUADKUVEGU-UHFFFAOYSA-N- Molecular formula
- C6H4O3S
- Average molar mass
- 156.16 g/mol
- Monoisotopic mass
- 155.98811499
Names & identifiers
- Preferred name
- 2-Thiopheneglyoxylic acid
- IUPAC
- 2-oxo-2-thiophen-2-ylacetic acid
- English name
- 2-Thiopheneglyoxylic acid
- Molecular formula
- C6H4O3S
- Molecular weight
- 156.16
Names & synonyms
4075-59-62-Thiopheneglyoxylic acid2-Oxo-2-(thiophen-2-yl)acetic acid2-Oxo-2-(2-thienyl)acetic acidalpha-Oxo-2-thiopheneacetic acidalpha-Oxothiophen-2-acetic acid723A77PV2MEINECS 223-794-22-Thiopheneacetic acid, .alpha.-oxo-DTXSID90193733.ALPHA.-THIENYLGLYOXALIC ACID.ALPHA.-OXO-2-THIOPHENEACETIC ACID
Show more names
2-thioylformic acidRARECHEM AL BO 22032-Thiopheneglyoxylic2-Thienylglyoxalic acida-Thienylglyoxalic acid(2-Thienyl)oxoacetic acidOxo(2-thienyl)acetic acidThiophen-2-glyoxylic acid
ACLIDINIUM METABOLITE (2-THIOPHENEGLYOXYLIC ACID)RefChem:483795DTXCID30116224ALPHA-THIENYLGLYOXALIC ACID2-Thiopheneacetic acid, alpha-oxo-223-794-2Thiophene-2-glyoxylic acid2-THIENYLGLYOXYLIC ACID
Database identifiers
- CAS
4075-59-6- PubChem CID
- 77694
- DTXSID
DTXSID90193733- ChEMBL
CHEMBL294445- UNII
- 723A77PV2M
- EC Number
- 223-794-2
- Nikkaji
- J217.885K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 88 · 88-91 °C (lit.)
- Boiling point
- 250.38 °C · 250.38°C (rough estimate)
- Density
- 1.404 · 1.404 (estimate)
- refractive index
- 1.5151 · 1.5151 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 2.09 · 2.09±0.54(Predicted)
- Sensitive
- Hygroscopic
- BRN
- 115791 · 115791
- InChI
- 1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)
- InChIKey
- GIWRVUADKUVEGU-UHFFFAOYSA-N
- SMILES
- OC(=O)C(=O)c1cccs1
- CAS DataBase Reference
- 4075 · 4075-59-6(CAS DataBase Reference)
- FDA UNII
- 723 A77PV2M · 723A77PV2M
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29349990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Uses2-Thiopheneglyoxylic acid was used in the synthesis of europium complexes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
上海相辉医药科技有限公司13761987713 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
熵哲(兰州)生物医药科技有限公司18119421752 13919408782
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [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]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
杭州洛丹伦医药技术有限公司18968132030 · [email protected]
青岛海力诺化工有限公司[email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
河南安基化工科技有限公司17836913271
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
北京珐默兹医药科技有限公司15811073878 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
122 records
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