Basic information
- CAS
2655-84-7- Standard SMILES
CCOc1cccc(Br)c1- InChIKey
LQBMPJSTUHWGDE-UHFFFAOYSA-N- Molecular formula
- C8H9BrO
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.98368
Names & identifiers
- Preferred name
- 3-Bromophenetole
- IUPAC
- 1-bromo-3-ethoxybenzene
- English name
- 3-Bromophenetole
- Molecular formula
- C8H9BrO
- Molecular weight
- 201.06
Names & synonyms
3-Bromophenetole2655-84-71-Bromo-3-ethoxybenzeneDTXSID00181126EINECS 220-186-9RefChem:499365DTXCID10103617220-186-9Benzene, 1-bromo-3-ethoxy-1-bromo-3-ethoxy-benzeneMFCD00274287m-Bromphenetol
Show more names
AKOS 3143-BromophenetolM-BROMOPHENETOLE3-broMoethoxybenzene3-Bromophenetole >1-Bromo-ethoxybenzene3-BROMOPHENYL ETHYL ETHER
3-ethoxybromobenzene1-Bromo-3-ethoxybenzene #CS-W015570BP-21285Phenetole, m-bromo-AM614503-Bromophenetole, 97%A818507
Database identifiers
- CAS
2655-84-7- PubChem CID
- 75867
- DTXSID
DTXSID00181126- EC Number
- 220-186-9
- Nikkaji
- J99.640H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Boiling point
- 206 °C · 206 °C (lit.)
- Density
- 1.481 g/mL · 1.481 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.548(lit.)
- Flash point
- 182 °F · 182 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.481 · 1.481
- InChI
- 1S/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
- InChIKey
- LQBMPJSTUHWGDE-UHFFFAOYSA-N
- SMILES
- CCOc1cccc(Br)c1
- CAS DataBase Reference
- 2655 · 2655-84-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers94 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
6 records
Compound notes
Loading…