Basic information
- Standard SMILES
NC(=O)CBr- InChIKey
JUIKUQOUMZUFQT-UHFFFAOYSA-N- Molecular formula
- C2H4BrNO
- Average molar mass
- 137.96 g/mol
- Monoisotopic mass
- 136.94762585
Names & identifiers
- Preferred name
- 2-Bromoacetamide
- IUPAC
- 2-bromoacetamide
- English name
- 2-BROMOACETAMIDE
- Molecular formula
- C2H4BrNO
- Molecular weight
- 137.96
Names & synonyms
2-Bromoacetamide683-57-8BromoacetamideAcetamide, 2-bromo-alpha-BromoacetamideNSC 77371BRN 17390733G598E5OYANSC-77371UNII-3G598E5OYA.ALPHA.-BROMOACETAMIDEDTXSID3058456
Show more names
2-BroMoacetMide2-bromo-acetamid2-Bromoacetamide98%2-Bromoacetamide,97%2-Bromoacetamide >2-BROMOACETAMIDE pure2-BroMoacetaMide, 98% 5GR
JUIKUQOUMZUFQT-UHFFFAOYSA-4-02-00-00530 (Beilstein Handbook Reference)RefChem:85836DTXCID2032215614-427-0InChI=1/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)JUIKUQOUMZUFQT-UHFFFAOYSA-NC2H4BrNO
Database identifiers
- CAS
683-57-8- PubChem CID
- 69632
- DTXSID
DTXSID3058456- ChEMBL
CHEMBL60628- UNII
- 3G598E5OYA
- EC Number
- 614-427-0
- Nikkaji
- J74.833A
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
- 5
- Formal charge
- 0
- Complexity
- 44.9
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 87 · 87-91 °C(lit.)
- Boiling point
- 271.6 · 271.6±23.0 °C(Predicted)
- Density
- 1.4243 · 1.4243 (rough estimate)
- refractive index
- 1.474 · 1.4740 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 160 g/l · 160g/l
- pka
- 14.79 · 14.79±0.40(Predicted)
- form
- Crystalline Powder
- color
- White
- BRN
- 1739073 · 1739073
- InChI
- InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)
- InChIKey
- JUIKUQOUMZUFQT-UHFFFAOYSA-N
- SMILES
- C(N)(=O)CBr
- CAS DataBase Reference
- 683 · 683-57-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 G598E5OYA · 3G598E5OYA
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H314
- Precautionary statements
- 260 · P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T,C
- Risk Statements
- 25 · 25-34-20/21/22
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 2923 · UN 2923 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 4587000 · AB4587000
- F
- 10 · 10
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29241990 · 29241990
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- AB4587000
- ridadr
- UN 2923 8/PG 2
- hs_code
- 29241990
- risk_code
- 25-34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,C
- hazard_note
- Irritant
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- Hazard statements
- H301-H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromoacetamide was used in preparation of (2-carbamoylmethoxy-5-chloro-benzyl)-carbamic acid tert-butyl ester. It was aslo used as precursor to dehydropeptidase I inactivator.
General DescriptionKinetics of reaction of 2-bromoacetamide with a 39 base pair duplex DNA sequence was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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