Basic information
- CAS
10531-41-6- Standard SMILES
O=C(CBr)c1cccs1- InChIKey
UHWNENCHFSDZQP-UHFFFAOYSA-N- Molecular formula
- C6H5BrOS
- Average molar mass
- 205.07 g/mol
- Monoisotopic mass
- 203.92444788
Names & identifiers
- Preferred name
- 2-Bromo-1-(thiophen-2-yl)ethan-1-one
- IUPAC
- 2-bromo-1-thiophen-2-ylethanone
- English name
- 2-(2-Bromoacetyl)thiophene
- Molecular formula
- C6H5BrOS
- Molecular weight
- 205.07
Names & synonyms
2-Bromo-1-(thiophen-2-yl)ethan-1-oneRefChem:466043638-953-510531-41-62-(2-Bromoacetyl)thiophene2-Bromo-1-(thiophen-2-yl)ethanone2-(bromoacetyl)thiophene2-Bromo-1-(2-thienyl)ethanone2-BROMO-1-(2-THIENYL)-1-ETHANONE2-Bromo-1-thiophen-2-yl-ethanone2-bromo-1-thiophen-2-ylethanoneEthanone, 2-bromo-1-(2-thienyl)-
Show more names
TIMTEC-BB SBB0059042-(Bromoacetyl)thiophene97%2-(Bromoacetyl)thiophene 97%2-(2-Bromoethyl)Thiophene98%2-(2-Bromoacetyl)thiophene97%
MFCD02677721bromoacetylthiophene2-(bromoacetyl)-thiopheneSCHEMBL6580972-bromo-1-(2-thienyl)ethan-1-ones12025CS-0186568Ethanone, 2-bromo-1-(thienyl)-
Database identifiers
- CAS
10531-41-6- PubChem CID
- 2776372
- DTXSID
DTXSID30380024- EC Number
- 638-953-5
- Nikkaji
- J947.663F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 29 · 29-33 °C(lit.)
- Boiling point
- 100 · 100-105°C 0,5mm
- Density
- 1.62 · 1.62
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- form
- crystalline needles
- color
- Off white/cream
- Sensitive
- Stench
- InChI
- 1S/C6H5BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
- InChIKey
- UHWNENCHFSDZQP-UHFFFAOYSA-N
- SMILES
- BrCC(=O)c1cccs1
- CAS DataBase Reference
- 10531 · 10531-41-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- C,T
- Risk Statements
- 22 · 22-34-43
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Keep Cold/Toxic/Stench
- HazardClass
- 8 · 8
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29349990
- risk_code
- 22-34-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,T
- hazard_note
- Keep Cold/Toxic/Stench
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H319
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
青岛鼎新海诺商贸有限公司18661607483
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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]
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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
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江阴安博生物医药有限公司086-010-62176588 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
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]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [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]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [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]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Related reactions
39 records
Compound notes
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