1-(Bromomethyl)-3-chlorobenzene (HCID 69838)

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 Å²
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
BRN: 636504 · 636504
InChI: InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey: LZIYAIRGDHSVED-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC(Cl)=C1
CAS DataBase Reference: 766 · 766-80-3(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Benzene, 1-(bromomethyl)-3-chloro-(766-80-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 19 · 19
Hazard Note: Corrosive/Lachrymatory
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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, 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): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
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: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

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

(3-Chloro-phenyl)-methanesulfonyl chloride H-Phe(3-Cl)-OH Butylamine Hydrobromide 3-Chloro-N-methylbenzylamine CytochroMe P450 14a-deMethylase inhibitor 1f 3-[(3-Chlorobenzyl)oxy]benzaldehyde 1-(3-Chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid 2-(3-Chlorobenzyloxy)benzaldehyde 1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-amine 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic acid

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

219 records

New reaction record

HRID 26489As reactantuspto-grants-1979_04

HRID 36340As productuspto-grants-1995_05

HRID 44567As reactantuspto-grants-2013_09

HRID 51362As reactantuspto-grants-2004_03

HRID 83552As reactantuspto-grants-2014_09

HRID 83557As reactantuspto-grants-2014_09

HRID 100861As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information