CAS 20443-98-5 1-Bromomethyl-2,6-dichlorobenzene (HCID 30159)

Names & identifiers

Preferred name: 1-Bromomethyl-2,6-dichlorobenzene
IUPAC: 2-(bromomethyl)-1,3-dichlorobenzene
English name: 2,6-Dichlorobenzyl bromide
Molecular formula: C7H5BrCl2
Molecular weight: 239.92

Names & synonyms

2,6-Dichlorobenzyl bromide20443-98-5Benzene, 2-(bromomethyl)-1,3-dichloro-alpha-Bromo-2,6-dichlorotoluene1-Bromomethyl-2,6-dichlorobenzeneEINECS 243-827-4NSC 93898BRN 0637351MP9K6Y018HNSC-93898TOLUENE, alpha-BROMO-2,6-DICHLORO-DTXSID60174392

Show more names

2-(BROMOMETHYL)-1,3-DICHLOROBENZENEVilanterol Impurity 326-Dichlorobenzyl broMide2,6-Didhlorobenzylbromideà-bromo-2,6-dichlorotolueneA-BROMO-2,6-DICHLOROTOLUENEα-Bromo-2,6-dichlorotolueneDICHLOROBENZYL(2,6-) BROMIDE2,6-two chlorobenzyl broMide

4-05-00-00834 (Beilstein Handbook Reference)RefChem:4307662,6dichlorobenzyl bromideToluene, alphabromo2,6dichloroDTXCID2096883Benzene, 2(bromomethyl)1,3dichloroBenzene, 2(bromomethyl)1,3dichloro (9CI)Benzene, 2-(bromomethyl)-1,3-dichloro-(9CI)

Database identifiers

CAS: 20443-98-5
PubChem CID: 30159
DTXSID: DTXSID60174392
UNII: MP9K6Y018H
EC Number: 243-827-4
Nikkaji: J59.688D

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

Physical DescriptionWhite crystals with a pungent odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 54 · 54-56 °C(lit.)
Boiling point: 110 °C · >110°C
Density: 1.5832 · 1.5832 (rough estimate)
refractive index: 1.57 · 1.5700 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: 0.1 g/mL, · methanol: 0.1 g/mL, clear
form: Crystals or Crystalline Powder
color: Colorless to white
BRN: 637351 · 637351
InChI: InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: PDFGFQUSSYSWNI-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=CC(Cl)=C1CBr
CAS DataBase Reference: 20443 · 20443-98-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9 K6Y018H · MP9K6Y018H
NIST Chemistry Reference: 2 · Benzene, 2-(bromomethyl)-1,3-dichloro-(20443-98-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37-36
Safety Statements: 22 · 22-26-27-28-36/37/39-45-25
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 7966000 · XS7966000
F: 19 · 19
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 Kg · 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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 2-(bromomethyl)-1,3-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 75 mg/kg; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
rtecs: XS7966000
ridadr: UN 3261 8/PG 2
hs_code: 29039990
risk_code: 34-36/37-36
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 22-26-27-28-36/37/39-45-25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,6-Dichlorobenzyl Bromide is used in the preparation of potent epoxide hydrolase inhibitors. Has shown thus far to relieve hypotension in lipopolysaccharide deficient murine models. As well they have been used in the synthesis of anti-HIV drugs based on diaryltriazine (DATA) analogues.