Basic information
- CAS
15430-62-3- Standard SMILES
CN(C)C(=O)C(Br)C#N- InChIKey
HLAJXHYCSPHGGI-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2O
- Average molar mass
- 191.03 g/mol
- Monoisotopic mass
- 189.97418
Names & identifiers
- Preferred name
- Acetamide, 2-bromo-2-cyano-N,N-dimethyl-
- IUPAC
- 2-bromo-2-cyano-N,N-dimethylacetamide
- English name
- 2-Bromo-2-cyano-N,N-dimethylacetamide
- Molecular formula
- C5H7BrN2O
- Molecular weight
- 191.03
Names & synonyms
2-Bromo-2-cyano-N,N-dimethylacetamide15430-62-3Acetamide, 2-bromo-2-cyano-N,N-dimethyl-EINECS 239-441-0DTXSID50884837RefChem:551573DTXCID901024258239-441-0MFCD00040509SCHEMBL2947816AKOS0158339392-bromo-2-cyano-N,N-dimethyl-acetamide
Show more names
Bromocyanodimethylacetamide2-bromo-2-cyano-n,n-dimethyl-acetamidN,N-DIMETHYL-2-BROMO-2-CYANOACETAMIDE2-Bromo-2-cyano-N,N-dimethylacetamide >2-BROMO-2-CYANO-N N-DIMETHYLACETAMIDE 90+%2-(N,N-DIMETHYLCARBAMOYL)-2-BROMOACETONITRILE
AS-81305CS-0359086NS00051604InChI=1/C5H7BrN2O/c1-8(2)5(9)4(6)3-7/h4H,1-2H
Database identifiers
- CAS
15430-62-3- PubChem CID
- 85841
- DTXSID
DTXSID50884837- EC Number
- 239-441-0
- Nikkaji
- J26.744I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 57 °C · 57°C
- Boiling point
- 135 °C · 135 °C / 3mmHg
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- solubility
- 2 O · sol ethanol, benzene, chloroform, ethyl acetate, and THF; insol petroleum ether and hexane; slightly sol hot ether, isopropyl alcohol, and H2O
- pka
- -0.65 · -0.65±0.70(Predicted)
- EPA Substance Registry System
- 2 · Acetamide, 2-bromo-2-cyano-N,N-dimethyl- (15430-62-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
- HS Code
- 2926907090 · 2926907090
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, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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
Regulatory InformationAcetamide, 2-bromo-2-cyano-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2926907090
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, 2-bromo-2-cyano-N,N-dimethyl-: INACTIVE
Applications
Uses2-Bromo-2-cyano-n,n-dimethylacetamide is a monobrominating agent that is selective for the α-carbon of enolizable ketones.
Preparation methods
PreparationVia bromination of 2-cyano-N,N-dimethylacetamide with Br2 in AcOH/Ac2O at 8- 10 °C.
Suppliers20 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
4 records
Compound notes
Loading…