Basic information
- CAS
5439-11-2- Standard SMILES
O=C(CBr)Nc1ccccc1Cl- InChIKey
WIOJXHICOOQVAB-UHFFFAOYSA-N- Molecular formula
- C8H7BrClNO
- Average molar mass
- 248.5 g/mol
- Monoisotopic mass
- 246.93995
Names & identifiers
- Preferred name
- N1-(2-Chlorophenyl)-2-Bromoacetamide
- IUPAC
- 2-bromo-N-(2-chlorophenyl)acetamide
- English name
- N1-(2-Chlorophenyl)-2-bromoacetamide
- Molecular formula
- C8H7BrClNO
- Molecular weight
- 248.5
Names & synonyms
N1-(2-CHLOROPHENYL)-2-BROMOACETAMIDERefChem:831364109-164-92-bromo-n-(2-chlorophenyl)acetamide5439-11-2N-(Bromoacetyl)-2-chloroanilineMFCD00173815Acetamide, 2-bromo-N-(2-chlorophenyl)-NSC15060N-(Bromoacetyl)-2'-chloroacetanilineSCHEMBL5456482SCHEMBL31146466
Show more names
2-bromo-N-(2-chlorophenyl)ethanamideN-(BROMOACETYL)-2'-CHLOROACETANILIDE
DTXSID60279997WIOJXHICOOQVAB-UHFFFAOYSA-NALBB-010555NSC-15060AKOS003107816PS-99612-bromo-N-(2-chloro-phenyl)-acetamide2,2-Ethane-1,2-diylbis-1H-benzimidazole
Database identifiers
- CAS
5439-11-2- PubChem CID
- 225525
- DTXSID
DTXSID60279997- EC Number
- 109-164-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 84 · 84-87°C
- Boiling point
- 372.1 · 372.1±27.0 °C(Predicted)
- Density
- 1.683 · 1.683±0.06 g/cm3(Predicted)
- pka
- 11.6 · 11.60±0.70(Predicted)
- form
- solid
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2921420090 · 2921420090
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2921420090
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers14 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [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（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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