Basic information
- Standard SMILES
Cc1csc2ccccc12- InChIKey
SEBRPHZZSLCDRQ-UHFFFAOYSA-N- Molecular formula
- C9H8S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.03467126
Names & identifiers
- Preferred name
- 3-Methylbenzo[b]thiophene
- IUPAC
- 3-methyl-1-benzothiophene
- English name
- 3-METHYLBENZO[B]THIOPHENE
- Molecular formula
- C9H8S
- Molecular weight
- 148.22
Names & synonyms
3-Methylbenzo[b]thiophene3-Methylbenzothiophene3-Methylthianaphthene3-Methylbenzo(b)thiophene3-Methylbenzylthiophene7A0P7EI9XFNSC 267241EINECS 215-934-6UNII-7A0P7EI9XFNSC-267241DTXSID80745263-Methylbenzo[b)thiophene
Show more names
3MBBTBUTTPARK 147\16-643-Methylthioindene3-METHYLBENZO[B]THIOMethylbenzobthiophene3-Methyl-1-thiaindeneBenzothiophene, 4-methyl3-Methyl-1-benzothiophene
3Methylthioindene3Methyl1thiaindene3Methylthianaphthene3MethylbenzothiopheneBenzothiophene, 3methylRefChem:94834Benzo(b)thiophene, 3methylDTXCID4034732
Database identifiers
- CAS
1455-18-1- PubChem CID
- 73817
- DTXSID
DTXSID8074526- UNII
- 7A0P7EI9XF
- EC Number
- 215-934-6
- Nikkaji
- J298.639F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Thiophenes
Physical DescriptionColorless liquid with a stench; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -40 °C · -40°C
- Boiling point
- 72 · 72-74 °C2 mm Hg(lit.)
- Density
- 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.6240(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Yellow to Orange
- Specific Gravity
- 1.106 · 1.106
- BRN
- 111282 · 111282
- InChI
- 1S/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
- InChIKey
- SEBRPHZZSLCDRQ-UHFFFAOYSA-N
- SMILES
- Cc1csc2ccccc12
- CAS DataBase Reference
- 1455 · 1455-18-1(CAS DataBase Reference)
- FDA UNII
- 7 A0P7EI9XF · 7A0P7EI9XF
- EPA Substance Registry System
- 3 · 3-Methylbenzo[b]thiophene (1455-18-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryAn eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Benzothiophene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 29349990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
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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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海毕楷科技有限公司18516304666
山东西亚化学有限公司13355009207 13355009207 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
石家庄通洋进出口有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海奈亦斯生物科技有限公司18321139117 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
34 records
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