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Basic information
- CAS
7312-18-7- Standard SMILES
O=Cc1cc2cc(Br)ccc2s1- InChIKey
JCWGQAINAKCVJX-UHFFFAOYSA-N- Molecular formula
- C9H5BrOS
- Average molar mass
- 241.11 g/mol
- Monoisotopic mass
- 239.92445
Names & identifiers
- Preferred name
- 5-Bromo-benzo[b]thiophene-2-carbaldehyde
- IUPAC
- 5-bromo-1-benzothiophene-2-carbaldehyde
- English name
- 5-Bromobenzo[b]thiophene-2-carbaldehyde
- Molecular formula
- C9H5BrOS
- Molecular weight
- 241.1
Names & synonyms
5-BROMO-BENZO[B]THIOPHENE-2-CARBALDEHYDE5-Bromo-benzo(b)thiophene-2-carbaldehydeRefChem:533955692-433-25-bromobenzo[b]thiophene-2-carbaldehyde7312-18-75-Bromo-1-benzothiophene-2-carbaldehydeMFCD112271545-Bromobenzo(b)thiophene-2-carbaldehydeSCHEMBL2019385AS-5579Z1269192528
Show more names
5-BroMo-1-benzothiophene-2-carboxaldehyde5-BroMobenzo[b]thiophene-2-carboxaldehydeBenzo[b]thiophene-2-carboxaldehyde, 5-bromo-
5-BROMOBENZOTHIOPHENE-2-CARBALDEHYDEFT-0663646A8661405-bromo-2-formylbenzothiopheneDTXSID70347116SBB099385AKOS015835884MB09873
Database identifiers
- CAS
7312-18-7- PubChem CID
- 618035
- DTXSID
DTXSID70347116- EC Number
- 692-433-2
- Nikkaji
- J1.427.295J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 360.5 · 360.5±22.0 °C(Predicted)
- Density
- 1.711 · 1.711±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses5-Bromobenzo[b]thiophene-2-carbaldehyde is used in the synthesis of biscationic, trypanocidal 1-benzofuran compounds.
Upstream & downstream products
Downstream products
Suppliers33 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
1 records
Compound notes
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