Basic information
- CAS
35065-86-2- Standard SMILES
CC(=O)Oc1cccc(Br)c1- InChIKey
CDLTWXBTYNNYLN-UHFFFAOYSA-N- Molecular formula
- C8H7BrO2
- Average molar mass
- 215.04 g/mol
- Monoisotopic mass
- 213.96294156
Names & identifiers
- Preferred name
- Phenol, 3-bromo-, 1-acetate
- IUPAC
- (3-bromophenyl) acetate
- English name
- 3-BROMO-PHENYL ACETATE
- Molecular formula
- C8H7BrO2
- Molecular weight
- 215.04
Names & synonyms
35065-86-2Phenol, 3-bromo-, acetatePhenol, 3-bromo-, 1-acetateDTXSID80188572RefChem:1094890DTXCID40111063609-058-73-Bromophenyl acetate(3-bromophenyl) acetate3-BROMO-PHENYL ACETATEAcetic acid 3-bromophenyl esterMFCD08063242
Show more names
Pemetrexed Impurity 761-Bromo-3-acetoxybenzene1-Acetoxy-3-bromobenzene3-Bromo-phenyl acetate, 98 %3-bromoacetic acid phenyl ester
3-bromphenyl acetate3-Bromophenyl acetate #SCHEMBL498839CHEMBL456666SCHEMBL6406233SCHEMBL16956276SCHEMBL28084471AKOS016003532
Database identifiers
- CAS
35065-86-2- PubChem CID
- 141946
- DTXSID
DTXSID80188572- ChEMBL
CHEMBL456666- EC Number
- 609-058-7
- Nikkaji
- J270.055G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 149 ℃ · 149℃ (40 Torr)
- Density
- 1.501 · 1.501±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 108 · 108.0±22.6℃
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
上海凛南医药科技有限公司15900633975;13262632028
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Related reactions
28 records
Compound notes
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