2,5-Dichlorobenzyl chloride

HCID 75976CAS 2745-49-5

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Basic information

Standard SMILES: ClCc1cc(Cl)ccc1Cl
InChIKey: OMZINLIPPVNUOG-UHFFFAOYSA-N
Molecular formula: C7H5Cl3
Average molar mass: 195.5 g/mol
Monoisotopic mass: 193.9456832

Names & identifiers

Preferred name: 2,5-Dichlorobenzyl chloride
IUPAC: 1,4-dichloro-2-(chloromethyl)benzene
English name: 2,5-Dichlorobenzyl chloride
Molecular formula: C7H5Cl3
Molecular weight: 195.47

Names & synonyms

2,5-Dichlorobenzyl chloride1,4-Dichloro-2-(chloromethyl)benzeneBenzene, 1,4-dichloro-2-(chloromethyl)-EINECS 220-382-4UNII-G46I9555FBG46I9555FBDTXSID80181866TOLUENE, .ALPHA.,2,5-TRICHLORO-(2,5-DICHLOROPHENYL)METHYL CHLORIDERefChem:82812DTXCID20104357TOLUENE, ALPHA,2,5-TRICHLORO-

Show more names

2,5-DICHLOROBENZYL Cα,2,5-Trichlorotolueneà,2,5-trichlorotolueneMiconazole Impurity 13Baricitinib Impurity 52alpha,2,5-Trichlorotoluene2,5-Dichlorobenzyl chloride,98%2,5-DICHLOROBENZYL CHLORIDE 98%

OMZINLIPPVNUOG-UHFFFAOYSA-N2745-49-51,4-Dichloro-2-chloromethyl-benzene2,5-DichlorobenzylchlorideMFCD000358181,4-Dichloro-2-(chloromethyl)benzene; (2,5-Dichlorophenyl)methyl Chloride; a,2,5-Trichlorotoluene;2,5-DichlA-2,5-Trichlorotoluene

Database identifiers

CAS: 2745-49-5
PubChem CID: 75976
DTXSID: DTXSID80181866
UNII: G46I9555FB
EC Number: 220-382-4
Nikkaji: J91.327H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 121 · 121-124 °C (14 mmHg)
Density: 1.386 · 1.386
refractive index: 1.574 · 1.574-1.576
Flash point: 121 · 121-124°C/14mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
Water Solubility: Not miscible in water.
BRN: 637802 · 637802
CAS DataBase Reference: 2745 · 2745-49-5(CAS DataBase Reference)
FDA UNII: 46 I9555FB · G46I9555FB
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P309-P310
Hazard Codes: C
Risk Statements: 34 · 34-22
Safety Statements: 45 · 45-36/37/39-26
RIDADR: 3265 · 3265
HazardClass: 8 · 8
PackingGroup: II
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Benzene, 1,4-dichloro-2-(chloromethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3265
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280-P305+P351+P338-P309-P310