Basic information
- CAS
35368-75-3- Standard SMILES
NC(=O)COc1ccc(Br)cc1- InChIKey
IFFIYLGFSQQYFB-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- 2-(4-Bromophenoxy)acetamide
- IUPAC
- 2-(4-bromophenoxy)acetamide
- English name
- 2-(4-bromophenoxy)acetamide
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
2-(4-bromophenoxy)acetamide35368-75-3MFCD00466099DTXSID50307273NSC190601Oprea1_317353CBDivE_0013292-(4-bromophenoxyl)acetamideSCHEMBL1432953SCHEMBL4948738IFFIYLGFSQQYFB-UHFFFAOYSA-NHMS1578K04
Show more names
UKRORGSYN-BB BBV-082965Acetamide, 2-(4-bromophenoxy)-2-(4-bromophenoxy)acetamide(SALTDATA: FREE)
STK035198AKOS000190866NSC-1906012-(4-Bromophenoxy)acetamide, AldrichCPRAS-43041DA-18513F049741SR-01000510967
Database identifiers
- CAS
35368-75-3- PubChem CID
- 302864
- DTXSID
DTXSID50307273
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 148 · 148-149 °C(Solv: ethanol (64-17-5))
- Boiling point
- 396.6 · 396.6±22.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- pka
- 15.26 · 15.26±0.40(Predicted)
- form
- solid
- InChI
- 1S/C8H8BrNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
- InChIKey
- IFFIYLGFSQQYFB-UHFFFAOYSA-N
- SMILES
- O=C(N)COC(C=C1)=CC=C1Br
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
Safety & regulation
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
5 records
Compound notes
Loading…