Basic information
- CAS
22913-24-2- Standard SMILES
COC(=O)c1cc2ccccc2s1- InChIKey
KRRAZMUPVIGDCU-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.0245005
Names & identifiers
- Preferred name
- Methyl benzo(b)thiophene-2-carboxylate
- IUPAC
- methyl 1-benzothiophene-2-carboxylate
- English name
- Methyl benzo[b]thiophene-2-carboxylate
- Molecular formula
- C10H8O2S
- Molecular weight
- 192.24
Names & synonyms
Methyl benzo[b]thiophene-2-carboxylate22913-24-2Methyl benzo(b)thiophene-2-carboxylateDTXSID50384160RefChem:356563DTXCID20335184625-266-0KRRAZMUPVIGDCU-UHFFFAOYSA-Nmethyl 1-benzothiophene-2-carboxylateBenzo[b]thiophene-2-carboxylic acid, methyl esterMFCD00067791Benzo[b]thiophene-2-carboxylic acid methyl ester
Show more names
AKOS 91623BUTTPARK 86\18-02Methyl benzo[b<RARECHEM AL BF 0483Thianaphthene-2-carboxylateMethyl Benzothiophene CarboxylateMETHYL THIANAPHTHENE-2-CARBOXYLATEMethyl 2-benzothiophenecarboxylate
STK736357AKOS000280413DS-4162SY006828CS-0043114Methyl benzo[b]thiophene-2-carboxylate, 97%EN300-193090Maybridge1_001812
Database identifiers
- CAS
22913-24-2- PubChem CID
- 2800344
- DTXSID
DTXSID50384160- ChEMBL
CHEMBL560931- EC Number
- 625-266-0
- Nikkaji
- J83.234K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
LogP3.21
Physicochemical properties
- Melting point
- 70 · 70-74 °C
- Boiling point
- 304.6 · 304.6±15.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- Appearance
- Light yellow to yellow Solid
- BRN
- 142166 · 142166
- InChI
- InChI=1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
- InChIKey
- KRRAZMUPVIGDCU-UHFFFAOYSA-N
- SMILES
- C12=CC=CC=C1C=C(C(OC)=O)S2
- CAS DataBase Reference
- 22913 · 22913-24-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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)
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
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers72 total
上海康恩博医药科技有限公司17510465506 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州德元凯化工有限公司17837139533 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
安徽合诺生物科技有限公司18455579438
海门慧聚药业有限公司0086-15189180296 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
越林试剂021-62960152 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
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]
成都遨帆医药科技有限公司15281070185; 13038283958
阳谷荣科商贸有限公司15863541132 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海双锕化学科技有限公司15010167677 · [email protected]
泽肽生物科技（石家庄）有限公司13383293380 18032131480 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
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025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [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]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
石家庄东智化工有限公司18032763683 13102890206; 18032763683;13102890206 · [email protected]
Related reactions
3 records
Compound notes
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