Basic information
- CAS
7462-74-0- Standard SMILES
CC(C)(Br)C(N)=O- InChIKey
WTRIMJTZOOLIFZ-UHFFFAOYSA-N- Molecular formula
- C4H8BrNO
- Average molar mass
- 166.02 g/mol
- Monoisotopic mass
- 164.97892598
Names & identifiers
- Preferred name
- 2-Bromo-2-methylpropanamide
- IUPAC
- 2-bromo-2-methylpropanamide
- English name
- 2-Bromo-2-methylpropanamide
- Molecular formula
- C4H8BrNO
- Molecular weight
- 166.02
Names & synonyms
2-bromo-2-methylpropanamideRefChem:466167628-106-87462-74-02-BromoisobutyramidePropanamide, 2-bromo-2-methyl-2-Bromo-2-methylpropionamideC4H8BrNOMFCD082348372-bromo-2-methyl-propanamide2-BROMO-2,2-DIMETHYLACETAMIDEdimethylbromoacetamide
Show more names
2-Bromoisobutyramide >2-Bromoisobutyramide, 98+%2-Bromo-2-methylpropiomidePropanaMide,2-broMo-2-Methyl-2-Bromo-2-methylpropionamide 97%2-Bromo-2,2-dimethylacetamide, 2-Bromo-2-methylpropanamide, 2-Bromoisobutyramide
BromisobuttersaureamidNSC402155NSC 402155SCHEMBL8389442-Bromo-2-methyl-propionamideCHEMBL410431SCHEMBL1567402DTXSID30225608
Database identifiers
- CAS
7462-74-0- PubChem CID
- 101235
- DTXSID
DTXSID30225608- ChEMBL
CHEMBL410431- EC Number
- 628-106-8
- Nikkaji
- J2.217.653F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 89.7
Physicochemical properties
- Melting point
- 145 · 145-149 °C
- Boiling point
- 240 · 240.0±23.0 °C(Predicted)
- Density
- 1.4132 · 1.4132 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 14.79 · 14.79±0.50(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C4H8BrNO/c1-4(2,5)3(6)7/h1-2H3,(H2,6,7)
- InChIKey
- WTRIMJTZOOLIFZ-UHFFFAOYSA-N
- SMILES
- C(N)(=O)C(Br)(C)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 24 · 24/25
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- HS Code
- 29241990 · 29241990
- Storage Class
- 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29241990
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
43 records
Compound notes
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