ChemicalBook--->CAS DataBase List--->620-13-3

620-13-3

620-13-3 Structure

620-13-3 Structure
IdentificationMore
[Name]

3-Methylbenzyl bromide
[CAS]

620-13-3
[Synonyms]

1-(BROMOMETHYL)-3-METHYLBENZENE
3-BROMOMETHYLTOLUENE
3-METHYLBENZYL BROMIDE
A-BROMO-M-XYLENE
ALPHA-BROMO-M-XYLENE
M-METHYLBENZYL BROMIDE
M-XYLYL BROMIDE
1-(bromomethyl)-3-methyl-benzen
alpha-bromo-m-xylen
Benzene, 1-(bromomethyl)-3-methyl-
bromo-xylene
m-(Bromomethyl)toluene
m-Xylene, alpha-bromo-
omega-bromo-m-xylene
alpha-Bromo-m-xylene~m-Xylyl bromide
à-bromo-m-xylene
α-bromo-m-xylene
3-Methylbenzyl bromide 98%
3-METHYLBENZYL BROMIDE/M-XYLYL BROMIDE
alpha-Dibromo-m-xylene
[EINECS(EC#)]

210-625-2
[Molecular Formula]

C8H9Br
[MDL Number]

MFCD00000177
[Molecular Weight]

185.06
[MOL File]

620-13-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-20.49°C (estimate)
[Boiling point ]

185 °C340 mm Hg(lit.)
[density ]

1.37 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.566(lit.)
[Fp ]

180 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Water Solubility ]

practically insoluble
[Detection Methods]

GC,NMR
[Merck ]

14,10090
[BRN ]

2076425
[InChI]

1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3
[InChIKey]

FWLWTILKTABGKQ-UHFFFAOYSA-N
[SMILES]

Cc1cccc(CBr)c1
[CAS DataBase Reference]

620-13-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Bromomethyl-3-methylbenzene(620-13-3)
[EPA Substance Registry System]

620-13-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302+H332-H314
[Precautionary statements ]

P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 1701 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

CY9039200
[Hazard Note ]

Corrosive
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29039990
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Corr. 1B
[Hazardous Substances Data]

620-13-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Methyl-1-dibromomethylbenzene-->6-Oxatricyclo[3.2.1.02,7]octan-8-one-->Cobalt, bis[[2,3-butanedione di(oximato-κN)](1-)][(3-methylphenyl)methyl](pyridine)-, (OC-6-12)- (9CI)-->1,3-Bis(bromomethyl)benzene-->1-bromo-2-(bromomethyl)-4-methylbenzene-->Bromotrichloromethane-->3-Methylbenzyl alcohol-->Carbon tetrabromide-->p-Xylene-->m-Tolualdehyde-->m-Xylene
[Preparation Products]

m-Tolyl-methanesulfonyl chloride-->2,4-Dimethylbromobenzene-->Methyl 3-methylphenylacetate-->4,4,5,5-tetramethyl-2-(4-((3-methylbenzyl)oxy)phenyl)-1,3,2-dioxaborolane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-Xylyl bromide(620-13-3).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

3-(Bromomethyl)toluene is used to prepare TNF-??a converting enzyme (TACE) converting enzyme inhibitors. It is also used to synthesize chromen-4-ones as DNA-dependent protein kinase inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylbenzyl bromide(620-13-3)MS
3-Methylbenzyl bromide(620-13-3)1HNMR
3-Methylbenzyl bromide(620-13-3)13CNMR
3-Methylbenzyl bromide(620-13-3)IR1
3-Methylbenzyl bromide(620-13-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha-Bromo-m-xylene, 96%(620-13-3)
[Alfa Aesar]

3-Methylbenzyl bromide, 97%(620-13-3)
[Sigma Aldrich]

620-13-3(sigmaaldrich)
[TCI AMERICA]

alpha-Bromo-m-xylene,>80.0%(GC)(620-13-3)
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