Basic information
- CAS
118650-08-1- Standard SMILES
COC(=O)Cc1cncc(Br)c1- InChIKey
GHJJIFVFBRAMEB-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- Methyl 2-(5-bromopyridin-3-yl)acetate
- IUPAC
- methyl 2-(5-bromo-3-pyridinyl)acetate
- English name
- 3-Pyridineacetic acid, 5-broMo-, Methyl ester
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
METHYL 2-(5-BROMOPYRIDIN-3-YL)ACETATERefChem:813562861-692-5118650-08-1Methyl 2-(5-Bromo-3-pyridyl)acetate3-Pyridineacetic acid, 5-bromo-, methyl esterMFCD10000065SCHEMBL746604methyl(5-bromo-3-pyridinyl)acetateMethyl (5-bromopyridin-3-yl)acetateCS-W004448(5-bromo-pyridin-3-yl)acetic acid methyl ester
Show more names
methyl 2-(5-bromo-3-pyridyl)acetate - [M37671](5-bromo-pyridin-3-yl)-acetic acid methyl ester
A893064DTXSID40633593GHJJIFVFBRAMEB-UHFFFAOYSA-Nmethyl(5-bromopyridin-3-yl)acetateTEA65008methyl (5-bromo-3-pyridinyl)acetateAKOS016002678AS-38999
Database identifiers
- CAS
118650-08-1- PubChem CID
- 23398394
- DTXSID
DTXSID40633593- EC Number
- 861-692-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 284.3 · 284.3±25.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.08 · 2.08±0.21(Predicted)
- Appearance
- Off-white to yellow Solid-Liquid Mixture
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers37 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
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上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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金瓯生物医药（南京）有限公司13000000000 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州衍旭科技有限公司18106123700 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
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Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
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泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
72 records
Compound notes
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