Basic information
- CAS
73918-56-6- Standard SMILES
NCCc1ccc(Br)cc1- InChIKey
ZSZCXAOQVBEPME-UHFFFAOYSA-N- Molecular formula
- C8H10BrN
- Average molar mass
- 200.08 g/mol
- Monoisotopic mass
- 198.99966142
Names & identifiers
- Preferred name
- p-Bromophenethylamine
- IUPAC
- 2-(4-bromophenyl)ethanamine
- English name
- 2-(4-Bromophenyl)ethylamine
- Molecular formula
- C8H10BrN
- Molecular weight
- 200.08
Names & synonyms
4-Bromophenethylamine73918-56-6p-BromophenethylamineEINECS 277-636-2DTXSID20224524RefChem:858010DTXCID50147015277-636-22-(4-bromophenyl)ethylamine2-(4-Bromophenyl)ethanamineBenzeneethanamine, 4-bromo-2-(4-Bromo-phenyl)-ethylamine
Show more names
RARECHEM AL BW 02144-Bromophenethanaminep-Bromophenethylamine,98%4-BROMOPHENETHYLAMINE,98%
2-(4-bromophenyl)ethan-1-amine4-bromobenzeneethanamine4-bromophenylethylamineMFCD00008189ZH8651p-BromophenylethylamineCHEMBL476516VMT
Database identifiers
- CAS
73918-56-6- PubChem CID
- 533915
- DTXSID
DTXSID20224524- ChEMBL
CHEMBL476516- UNII
- 649Z5J48K2
- EC Number
- 277-636-2
- Nikkaji
- J236.208B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Boiling point
- 63 · 63-72 °C/0.2 mmHg (lit.)
- Density
- 1.29 g/mL · 1.29 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.574(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- 9.72 · 9.72±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.29 · 1.290
- color
- Colorless
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
- InChIKey
- ZSZCXAOQVBEPME-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC=C(Br)C=C1
- CAS DataBase Reference
- 73918 · 73918-56-6(CAS DataBase Reference)
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
Chemistry & industry
Applications
Uses4-Bromophenethylamine was used in the synthesis of pyrazinoisoquinoline derivatives and N-2-(4-bromophenyl)ethyl chloroacetamide. It was also used in the synthesis of alkyl arylamino sufides employing elemental sulfur and various halides.
Uses4-Bromophenethylamine was used in the synthesis of pyrazinoisoquinoline derivatives and N-2-(4-bromophenyl)ethyl chloroacetamide. It was also used in the synthesis of alkyl arylamino sufides employing elemental sulfur and various halides.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
41 records
Compound notes
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