Basic information
- CAS
67810-57-5- Standard SMILES
COC(=O)/C=C/CCBr- InChIKey
ICTLWQNQOIULKS-DUXPYHPUSA-N- Molecular formula
- C6H9BrO2
- Average molar mass
- 193.04 g/mol
- Monoisotopic mass
- 191.97859
Names & identifiers
- Preferred name
- Methyl (2E)-5-bromopent-2-enoate
- IUPAC
- methyl (E)-5-bromopent-2-enoate
- English name
- Methyl 5-Bromopent-2-enoate
- Molecular formula
- C6H9BrO2
- Molecular weight
- 193.04
Names & synonyms
67810-57-5METHYL (2E)-5-BROMOPENT-2-ENOATEDTXSID80420929RefChem:352953DTXCID50371772methyl (E)-5-bromopent-2-enoatemethyl 5-bromopent-2-enoate(E)-Methyl 5-bromopent-2-enoate123282-88-2NSC268911SCHEMBL4451337NSC-268911
Show more names
(E)-ethyl 5-broMopent-2-enoate2-Pentenoic acid, 5-bromo-, methyl ester, (2E)-2-Pentenoic acid,5-bromo-, methyl ester, (E)- (9CI)
(E)-5-bromo-pent-2-enoic acid methyl ester
Database identifiers
- CAS
67810-57-5- PubChem CID
- 5773758
- DTXSID
DTXSID80420929- EC Number
- 995-617-3
- Nikkaji
- J2.570.074K、J2.741.110J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 212.7 · 212.7±23.0 °C(Predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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