Basic information
- CAS
5370-25-2- Standard SMILES
CC(=O)c1ccc(Br)s1- InChIKey
IGBZCOWXSCWSHO-UHFFFAOYSA-N- Molecular formula
- C6H5BrOS
- Average molar mass
- 205.07 g/mol
- Monoisotopic mass
- 203.92444788
Names & identifiers
- Preferred name
- 2-Acetyl-5-bromothiophene
- IUPAC
- 1-(5-bromothiophen-2-yl)ethanone
- English name
- 2-Acetyl-5-bromothiophene
- Molecular formula
- C6H5BrOS
- Molecular weight
- 205.07
Names & synonyms
2-Acetyl-5-bromothiophene1-(5-bromothiophen-2-yl)ethanoneEthanone, 1-(5-bromo-2-thienyl)-1-(5-Bromo-2-thienyl)ethan-1-one1-(5-Bromo-2-thienyl)ethanone5-Bromo-2-thienyl methyl ketone2-bromo-5-acetylthiopheneJU7V7ZQ7VDKetone, 5-bromo-2-thienyl methylEINECS 226-363-7NSC-803665-Bromo 2-acetylthiophene
Show more names
1-(5-broMothiophen-2-yl)ethan-1-oneAKOS 93373BUTTPARK 52\12-17-5-bromothiophene2-Acetyl-5-bromothioLABOTEST-BB LT011384862-Acetyl-5-bromthiophen5-Acetyl-2-bromothiophene
IGBZCOWXSCWSHO-UHFFFAOYSA-DTXSID70201961NSC 80366RefChem:84978DTXCID00124452IGBZCOWXSCWSHO-UHFFFAOYSA-NInChI=1/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H35370-25-2
Database identifiers
- CAS
5370-25-2- PubChem CID
- 79335
- DTXSID
DTXSID70201961- UNII
- JU7V7ZQ7VD
- EC Number
- 226-363-7
- Nikkaji
- J81.018E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 94 · 94-96 °C (lit.)
- Boiling point
- 103 °C/4 · 103 °C/4 mmHg (lit.)
- Density
- 1.649 · 1.649 (estimate)
- Flash point
- 103 °C/4mm · 103°C/4mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- soluble in Methanol
- form
- Crystalline Flakes or Powder
- color
- Yellow
- Sensitive
- Light Sensitive
- BRN
- 113949 · 113949
- InChI
- InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
- InChIKey
- IGBZCOWXSCWSHO-UHFFFAOYSA-N
- SMILES
- C(=O)(C1SC(Br)=CC=1)C
- CAS DataBase Reference
- 5370 · 5370-25-2(CAS DataBase Reference)
- FDA UNII
- 7 V7ZQ7VD · JU7V7ZQ7VD
- NIST Chemistry Reference
- 2 · 2-Acetyl-5-bromothiophene(5370-25-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H312-H332
- Precautionary statements
- 261 · P261-P301+P312a-P304+P340-P305+P351+P338-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26-22
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- HazardClass
- LIGHT SENSITIVE
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (85.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22
- hazard_class
- LIGHT SENSITIVE
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H302-H312-H332
- Precautionary statements
- P261-P301+P312a-P304+P340-P305+P351+P338-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Acetyl-5-bromothiophene was used as a starting reagent in the synthesis of bithiophene bis-imidazo[1,2-a]pyridine derivatives. It was also used in the preparation of phosphorus-containing fused bicyclic 5,6-membered compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
杭州东帆化学有限公司86-0571-85151182
云南西力生物技术股份有限公司0871-65217109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
深圳法默科技有限公司0755-86648230 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [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]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [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]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [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]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海闯欣医药科技有限公司13621615409 · [email protected]
Related reactions
234 records
Compound notes
Loading…