CAS 576-83-0 2-Bromomesitylene (HCID 68473)

Names & identifiers

Preferred name: 2-Bromomesitylene
IUPAC: 2-bromo-1,3,5-trimethylbenzene
English name: 2,4,6-Trimethybromombenzene
Molecular formula: C9H11Br
Molecular weight: 199.09

Names & synonyms

2-Bromomesitylene576-83-02,4,6-Trimethylbromobenzene2-Bromo-1,3,5-trimethylbenzeneMesityl bromideBromomesityleneBenzene, 2-bromo-1,3,5-trimethyl-2,4,6-Trimethylphenyl bromideMesitylene, 2-bromo-1-Bromo-2,4,6-trimethylbenzeneNSC 8064X99GJ54YDY

Show more names

1-Bromomesitylene2-BROMOM2-Bromomesifylene

NSC-8064EINECS 209-405-9AI3-07033DTXSID4060363RefChem:467276Mesitylene, 2-bromo-(8CI)DTXCID0042242209-405-9

Database identifiers

CAS: 576-83-0
PubChem CID: 68473
DTXSID: DTXSID4060363
UNII: X99GJ54YDY
EC Number: 209-405-9
Nikkaji: J47.000G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 99.3

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Density1.301 @25 °C

Boiling Point225 °C @760 [mm Hg]

Melting Point-1 °C

Physicochemical properties

Melting point: 2 °C · 2 °C(lit.)
Boiling point: 225 °C · 225 °C(lit.)
Density: 1.301 g/mL · 1.301 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.552(lit.)
Flash point: 205 °F · 205 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Clear colorless to very slightly yellow
Water Solubility: Insoluble in water(20°C) .
Sensitive: Light Sensitive
BRN: 1907245 · 1907245
InChI: InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey: RRTLQRYOJOSPEA-UHFFFAOYSA-N
SMILES: C1(C)=CC(C)=CC(C)=C1Br
CAS DataBase Reference: 576 · 576-83-0(CAS DataBase Reference)
FDA UNII: 99 GJ54YDY · X99GJ54YDY
NIST Chemistry Reference: 2 · Benzene, 2-bromo-1,3,5-trimethyl-(576-83-0)
EPA Substance Registry System: 2 · 2-Bromomesitylene (576-83-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37/39-23
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29036990 · 29036990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 3 · STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Bromomesitylene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29036990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-36/37/39-23
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 2-bromo-1,3,5-trimethyl-: ACTIVE

Applications · 1 item

Uses2-Bromomesitylene is a useful synthetic intermediate, Aromatics, Boron Derivatives, Catalyst. It is an intermediate used to prepare Hydrogen[4-[bis(2,4,6-trimethylphenyl)phosphino]-2,3,5,6-tetrafluorophenyl]hydrobis(2,3,4,5,6-pentafluorophenyl)borate (H714510) which is a frustrated phosphonium borate for metal-free catalytic hydrogenation of imines.

Upstream & downstream products

Upstream raw materials

Downstream products

3-Methoxy-pyridine-2-carbaldehyde 2-Methoxy-3-pyridinecarboxaldehyde Boron Standard Metal Solution 3,4,5-Trimethylbenzoic acid 2,4,6-Trimethylbenzenesulfonic acid 4-Bromo-3,5-dimethyl-benzoic acid methyl ester 2,4,6-Trimethylbenzophenone 1,3-Bis(2,4,6-trimethylphenyl)-imidazolidinium-chloride 2-Bromo-benzene-1,3,5-tricarboxylic acid

Suppliers100 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]

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

65 records

New reaction record

HRID 145703As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 148988As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 149527As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155220As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 166761As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 194774As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 227905As reactantuspto-grants-2009_07

HRID 272594As reactantuspto-grants-2008_11

Compound notes

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Basic information