Basic information
- Standard SMILES
COC(=O)c1ccsc1- InChIKey
ZTRAEMILTFNZSM-UHFFFAOYSA-N- Molecular formula
- C6H6O2S
- Average molar mass
- 142.18 g/mol
- Monoisotopic mass
- 142.00885043
Names & identifiers
- Preferred name
- Methyl 3-thiophenecarboxylate
- IUPAC
- methyl thiophene-3-carboxylate
- English name
- Methyl 3-thiophenecarboxylate 97
- Molecular formula
- C6H6O2S
- Molecular weight
- 142.18
Names & synonyms
Methyl 3-thiophenecarboxylate22913-26-43-Thiophenecarboxylic acid, methyl esterDTXSID20341583RefChem:815645DTXCID40292664628-219-2methyl thiophene-3-carboxylateMFCD06203810THIOPHENE-3-CARBOXYLIC ACID METHYL ESTERMethyl 3-thiophenecarboxylate, 97%GEO-04563
Show more names
THOO1Methyl 3-thiophenecarboxylate 97Methyl Thiophene-3-carboxylate >Thiophene-3-carboxylic acid methyl ester3- thiophene carboxylic acidMethyl esterMETHYL 3-THIOPHENECARBOXYLATE 97 ISO 9001：2015 REACH
3-thiophene carboxylic acid methyl esterSY019965EN300-901703-methoxycarbonylthiophenemethyl-3-thenoateFT-06596123-methoxy carbonyl-thiopheneA816420
Database identifiers
- CAS
22913-26-4- PubChem CID
- 574151
- DTXSID
DTXSID20341583- EC Number
- 628-219-2
- Nikkaji
- J1.396.171I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 98 °C/10 · 98 °C/10 mmHg (lit.)
- Density
- 1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5380(lit.)
- Flash point
- 172 °F · 172 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- λmax
- 239 nm · 239nm(Hexane)(lit.)
- InChI
- 1S/C6H6O2S/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
- InChIKey
- ZTRAEMILTFNZSM-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccsc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335-H227
- Precautionary statements
- 210 e-P280a-P405-P501a-P261-P280-P305+P351+P338 · P210e-P280a-P405-P501a-P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-43
- Safety Statements
- 26 · 26-36/37
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 2 · 2
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 39 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 Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- NA 1993 / PGIII
- hs_code
- 29349990
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H335-H227
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P210e-P280a-P405-P501a-P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [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]
郑州德元凯化工有限公司17837139533 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
南京纽安洁化工科技有限公司0515-82159099 13770142076
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]
上海景颜化工科技有限公司13817811078 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
南京佳诺霖光电科技有限公司13813880104 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海缤马科技有限公司15262241608 · [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]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
越林试剂021-62960152 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州市水草新材料科技有限公司0519-86609972; 13861152845 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
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