Basic information
- CAS
54796-51-9- Standard SMILES
COC(=O)c1cc(CBr)cs1- InChIKey
KNBMDMSLFAPOSE-UHFFFAOYSA-N- Molecular formula
- C7H7BrO2S
- Average molar mass
- 235.1 g/mol
- Monoisotopic mass
- 233.93501256
Names & identifiers
- Preferred name
- Methyl 4-(bromomethyl)thiophene-2-carboxylate
- IUPAC
- methyl 4-(bromomethyl)thiophene-2-carboxylate
- English name
- Methyl 4-(broMoMethyl)thiophene-2-carboxylate
- Molecular formula
- C7H7BrO2S
- Molecular weight
- 235.1
Names & synonyms
Methyl 4-(bromomethyl)thiophene-2-carboxylate54796-51-9DTXSID30573055RefChem:355435DTXCID20523827976-487-7MFCD097437422-Thiophenecarboxylic acid, 4-(bromomethyl)-, methyl esterMethyl4-(bromomethyl)thiophene-2-carboxylateSCHEMBL1401554KNBMDMSLFAPOSE-UHFFFAOYSA-NECA79651
Show more names
Methyl 4-(bromomethyl)4-(bromomethyl)-2-Thiophenecarboxylic acid methyl ester
AKOS016001560DB-071909EN300-2266174-Bromomethyl-2-thiophenecarboxylic acid, methyl ester4-bromomethyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- CAS
54796-51-9- PubChem CID
- 15469145
- DTXSID
DTXSID30573055- EC Number
- 976-487-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 304.6 · 304.6±32.0 °C(Predicted)
- Density
- 1.606 · 1.606±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
成都福瑞斯特科技发展有限公司028-87925786 18010564218 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
2 records
Compound notes
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