1-(Bromomethyl)-3-chlorobenzene
Basic information
- CAS
766-80-3- Standard SMILES
Clc1cccc(CBr)c1- InChIKey
LZIYAIRGDHSVED-UHFFFAOYSA-N- Molecular formula
- C7H6BrCl
- Average molar mass
- 205.48 g/mol
- Monoisotopic mass
- 203.93413997
Names & identifiers
- Preferred name
- 1-(Bromomethyl)-3-chlorobenzene
- IUPAC
- 1-(bromomethyl)-3-chlorobenzene
- English name
- 3-Chlorobenzyl bromide
- Molecular formula
- C7H6BrCl
- Molecular weight
- 205.48
Names & synonyms
3-Chlorobenzyl bromide766-80-31-(Bromomethyl)-3-chlorobenzenealpha-Bromo-3-chlorotoluenem-Chlorobenzyl bromidealpha-Bromo-m-chlorotoluene.alpha.-Bromo-m-chlorotolueneEINECS 212-171-0.alpha.-Bromo-3-chlorotolueneToluene, alpha-bromo-m-chloro-LZIYAIRGDHSVED-UHFFFAOYSA-DTXSID40227411
Show more names
orobenzyLChlorobenzylbroMide3-Chlorobenzyl bromiα-Bromo-m-chlorotoluenem-Chloro-α-bromotolueneà-bromo-3-chlorotolueneA-BROMO-3-CHLOROTOLUENE
Toluene, .alpha.-bromo-m-chloro-NSC 60110alphaBromo3chlorotolueneRefChem:746351(Bromomethyl)3chlorobenzeneDTXCID40149902UN3265212-171-0
Database identifiers
- CAS
766-80-3- PubChem CID
- 69838
- DTXSID
DTXSID40227411- UNII
- JBS4766KF8
- EC Number
- 212-171-0
- Nikkaji
- J193.140G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 15 °C · 15 °C
- Boiling point
- 109 · 109-110 °C/12 mmHg (lit.)
- Density
- 1.565 g/mL · 1.565 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.588(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- Specific Gravity
- 1.565 · 1.565
- Water Solubility
- DECOMPOSES
- Sensitive
- Lachrymatory
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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information1-(Bromomethyl)-3-chlorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29039990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Applications
Uses3-Chlorobenzyl bromide was used in the synthesis of symmetrical and unsymmetrical benzyl thioethers. It was used as starting reagent during the synthesis of 1-(3-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole dihydrochloride.
General Description3-Chlorobenzyl bromide reacts with aminoethanol and NaH to yield aminoethyl 3-chlorobenzyl ether.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
219 records
Compound notes
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