Basic information
- CAS
23819-87-6- Standard SMILES
Cc1[nH]c(=O)c(C#N)c(C)c1Br- InChIKey
DFGKQCOFARYQOA-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O
- Average molar mass
- 227.06 g/mol
- Monoisotopic mass
- 225.97418
Names & identifiers
- Preferred name
- 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
- English name
- 5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
- Molecular formula
- C8H7BrN2O
- Molecular weight
- 227.06
Names & synonyms
23819-87-65-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrileDTXSID00353285RefChem:301841DTXCID503043485-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile5-Bromo-2-hydroxy-4,6-dimethylnicotinonitrile5-bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrileMFCD00052651MFCD011172243-pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-5-bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine
Show more names
5-Bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, 98%5-Bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, 98%5-BROMO-4,6-DIMETHYL-2-HYDROXYPYRIDINE-3-CARBONITRILE5-Bromo-1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile5-BROMO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE ISO 9001：2015 REACH
5-Bromo-2-hydroxy-4,6-dimethylpyridine-3-carbonitrile5-bromo-4,6-dimethyl-2-oxohydropyridine-3-carbonitrileMLS000089917SCHEMBL8650240SCHEMBL9820198CHEMBL1446005DFGKQCOFARYQOA-UHFFFAOYSA-NHMS2472D03
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 263 · 263-266°C
- Boiling point
- 301 ℃ · 301℃
- Density
- 1.61 · 1.61
- Flash point
- 136 ℃ · 136℃
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 7 · 7.00±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 23819 · 23819-87-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 h-P305+P351+P338 · P280h-P305+P351+P338
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 9 · 9-26-36/37
- RIDADR
- 3439 · UN3439
- HazardClass
- 6.1 · 6.1
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- UN3439
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 9-26-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280h-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers37 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
厦门欣达诺生物科技有限公司0592-6266840 15750707980 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
Related reactions
7 records
Compound notes
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