Basic information
- CAS
55876-84-1- Standard SMILES
COC(=O)c1ccc(CBr)cn1- InChIKey
SIMKVUKTEMRUSF-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.9738406
Names & identifiers
- Preferred name
- Methyl 5-(bromomethyl)pyridine-2-carboxylate
- IUPAC
- methyl 5-(bromomethyl)pyridine-2-carboxylate
- English name
- METHYL-5-BROMOMETHYLPYRIDINE-2-CARBOXYLATE
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
55876-84-1METHYL 5-(BROMOMETHYL)PYRIDINE-2-CARBOXYLATEDTXSID90599296RefChem:157662DTXCID00550055879-266-2METHYL 5-(BROMOMETHYL)PICOLINATEMethyl-5-bromomethylpyridine-2-carboxylateMFCD07367952Methyl 5-(bromomethyl);picolinate5-Bromomethyl-pyridine-2-carboxylic acid methyl ester5-bromomethylpyridine-2-carboxylic acid methyl ester
Show more names
THYL-5-BROMOMETHYLPYRIDINE-2-CARBOXYLATE5-Bromomethyl-2-(1-methoxy-vinyl)-pyridine5-(Bromomethyl)pyridine-2-carboxylic acid methyl ester
2-Pyridinecarboxylic acid, 5-(bromomethyl)-, methyl esterMethyl-5-(bromomethyl)pyridine-2-carboxylateC75626EN300-316438A870075SCHEMBL1437036SCHEMBL30346498AKOS015891878
Database identifiers
- CAS
55876-84-1- PubChem CID
- 19699469
- DTXSID
DTXSID90599296- EC Number
- 879-266-2
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
- Boiling point
- 334 ℃ · 334℃
- Density
- 1.533 · 1.533
- Flash point
- 156 ℃ · 156℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.78 · 0.78±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers51 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
陕西宇鼎卓医药科技有限公司
Related reactions
2 records
Compound notes
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