Basic information
- CAS
146462-25-1- Standard SMILES
COC(=O)c1cccc(CBr)n1- InChIKey
GLLACFRFEBEMED-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.9738406
Names & identifiers
- Preferred name
- Methyl 6-(bromomethyl)pyridine-2-carboxylate
- IUPAC
- methyl 6-(bromomethyl)pyridine-2-carboxylate
- English name
- 2-Bromomethyl-6-pyridine carboxylic acid methyl ester
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
146462-25-1METHYL 6-(BROMOMETHYL)PYRIDINE-2-CARBOXYLATEDTXSID90614357RefChem:356225DTXCID30565112967-904-3Methyl 6-(bromomethyl)picolinate2-Bromomethyl-6-pyridine carboxylic acid methyl esterMFCD032653682-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl estermethyl 6-(bromomethyl)-2-pyridinecarboxylateMethyl 2-bromomethyl-6-pyridinecarboxylate
Show more names
Benzeneethanamine,7-chloro-α-methyl-2-bromomethylpyridine-6-carboxylic acid methyl ester2-BROMOMETHYL-6-PYRIDINE CARBOXYLIC ACID ETHYL ESTER2-(5-FLUORO-2-HYDROXYPHENYL)-2-(1-OXOISOINDOLIN-7-YL)ACETICACID
Methyl6-(bromomethyl)picolinateSCHEMBL1181244SCHEMBL29810272methyl-6-(bromomethyl)picolinateGLLACFRFEBEMED-UHFFFAOYSA-NMFCD032653AC-181AKOS008901281
Database identifiers
- CAS
146462-25-1- PubChem CID
- 21471714
- DTXSID
DTXSID90614357- EC Number
- 967-904-3
- Nikkaji
- J2.997.983I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- Melting point
- 0 °C · 0°C
- Boiling point
- 0 °C · 0°C
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- Flash point
- 0 °C · 0°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.53 · 0.53±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C8H8BrNO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3
- InChIKey
- GLLACFRFEBEMED-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NC(CBr)=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers92 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Related reactions
17 records
Compound notes
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