4-(Bromomethyl)-1,2-dichlorobenzene
Basic information
- CAS
18880-04-1- Standard SMILES
Clc1ccc(CBr)cc1Cl- InChIKey
XLWSBDFQAJXCQX-UHFFFAOYSA-N- Molecular formula
- C7H5BrCl2
- Average molar mass
- 239.92 g/mol
- Monoisotopic mass
- 237.89517
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-1,2-dichlorobenzene
- IUPAC
- 4-(bromomethyl)-1,2-dichlorobenzene
- English name
- 3,4-Dichlorobenzyl bromide
- Molecular formula
- C7H5BrCl2
- Molecular weight
- 239.92
Names & synonyms
3,4-Dichlorobenzyl bromide18880-04-14-(bromomethyl)-1,2-dichlorobenzenebenzene, 4-(bromomethyl)-1,2-dichloro-DTXSID50348666RefChem:515299DTXCID80299738625-144-7InChI=1/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H3,4-dichlorobenzylbromideMFCD000413631,2-dichloro-4-(bromomethyl)benzene
Show more names
TIMTEC-BB SBB0057633,4-Dichlorobenzyl bAdenosine Impurity 41à-bromo-3,4-dichlorotolueneα-Bromo-3,4-dichlorotoluene3,4-Dichlorobenzylbromide97%3,4-DichlorobenzylBromide>3,4-Dichlorobenzyl bromide 97%
3,4 dichlorobenzyl bromideSCHEMBL101283,4-Dichloro-benzyl bromideSCHEMBL11123079SCHEMBL29413271XLWSBDFQAJXCQX-UHFFFAOYSA-N4-bromomethyl-1,2-dichlorobenzene3,4-Dichlorobenzyl bromide, 97%
Database identifiers
- CAS
18880-04-1- PubChem CID
- 639726
- DTXSID
DTXSID50348666- EC Number
- 625-144-7
- Nikkaji
- J307.721G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 19 °C · 19 °C
- Boiling point
- 115 · 115-120 °C (1 mmHg)
- Density
- 1.65 · 1.650
- refractive index
- 1.605 · 1.605-1.607
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Liquid
- color
- Clear colorless to brown
- Water Solubility
- Insoluble in water.
- Sensitive
- Lachrymatory
- BRN
- 742579 · 742579
- InChI
- 1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
- InChIKey
- XLWSBDFQAJXCQX-UHFFFAOYSA-N
- SMILES
- Clc1ccc(CBr)cc1Cl
- CAS DataBase Reference
- 18880 · 18880-04-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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
H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (85.1%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 1760
- hs_code
- 29039990
- risk_code
- 34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C,T,N
- hazard_note
- Toxic/Corrosive/Lachrymatory
- safety_code
- 45-36/37/39-25-61-26
- hazard_class
- 8
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H301-H314-H413
- Limited Quantities
Chemistry & industry
Applications
Uses3,4-Dichlorobenzyl bromide is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
173 records
Compound notes
Loading…